1-benzyl-3,5-dichloropyrazin-2(1H)-one
1-benzyl-3,5-dichloropyrazin-2(1H)-one structure
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Common Name | 1-benzyl-3,5-dichloropyrazin-2(1H)-one | ||
|---|---|---|---|---|
| CAS Number | 87486-35-9 | Molecular Weight | 255.10000 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C11H8Cl2N2O | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-benzyl-3,5-dichloropyrazin-2-one |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C11H8Cl2N2O |
|---|---|
| Molecular Weight | 255.10000 |
| Exact Mass | 254.00100 |
| PSA | 34.89000 |
| LogP | 2.59840 |
| InChIKey | HOQQWVHNEUMOAJ-UHFFFAOYSA-N |
| SMILES | O=c1c(Cl)nc(Cl)cn1Cc1ccccc1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~84%
1-benzyl-3,5-di... CAS#:87486-35-9 |
| Literature: Harker, Wesley R.R.; Delaney, Patrick M.; Simms, Michael; Tozer, Matthew J.; Harrity, Joseph P.A. Tetrahedron, 2013 , vol. 69, # 5 p. 1546 - 1552 |
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~59%
1-benzyl-3,5-di... CAS#:87486-35-9 |
| Literature: BAYER SCHERING PHARMA ATIENGESELLSCHAFT Patent: US2010/298293 A1, 2010 ; Location in patent: Page/Page column 46 ; US 20100298293 A1 |
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~%
1-benzyl-3,5-di... CAS#:87486-35-9 |
| Literature: De Borggraeve, Wim M.; Verbist, Bie M.P.; Rombouts, Frederik J.R.; Pawar, Vijaykumar G.; Smets, Wim J.; Kamoune, Laila; Alen, Jo; Van Der Eycken, Erik V.; Compernolle, Frans; Hoornaert, Georges J. Tetrahedron, 2004 , vol. 60, # 50 p. 11597 - 11612 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 2 | |
CAS#:173199-86-5
CAS#:425669-40-5This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Antifungal activity against Candida albicans CAI4
Source: ChEMBL
Target: Candida albicans
External Id: CHEMBL1061416
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Name: Induction of reactive oxygen species production in Candida albicans assessed as corre...
Source: ChEMBL
Target: Candida albicans
External Id: CHEMBL1061417
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1-benzyl-3,5-dichloro-1H-pyrazin-2-one |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of 1-benzyl-3,5-dichloropyrazin-2-one? |
| A: LogP of 1-benzyl-3,5-dichloropyrazin-2-one is 2.59840. |
| Q: What is the SMILES notation of 1-benzyl-3,5-dichloropyrazin-2-one? |
| A: SMILES notation of 1-benzyl-3,5-dichloropyrazin-2-one is O=c1c(Cl)nc(Cl)cn1Cc1ccccc1. |
| Q: What are the downstream products of 1-benzyl-3,5-dichloropyrazin-2-one? |
| A: Related downstream products(CAS) of 1-benzyl-3,5-dichloropyrazin-2-one: 173199-86-5;425669-40-5. |
| Q: What is the molecular formula of 1-benzyl-3,5-dichloropyrazin-2-one? |
| A: Molecular formula of 1-benzyl-3,5-dichloropyrazin-2-one is C11H8Cl2N2O. |
| Q: What English synonyms does 1-benzyl-3,5-dichloropyrazin-2-one have? |
| A: English synonyms of 1-benzyl-3,5-dichloropyrazin-2-one: 1-benzyl-3,5-dichloro-1H-pyrazin-2-one. |
| Q: What are the upstream materials of 1-benzyl-3,5-dichloropyrazin-2-one? |
| A: Related upstream materials(CAS) of 1-benzyl-3,5-dichloropyrazin-2-one: 79-37-8;63086-36-2;3010-05-7;100-46-9. |
| Q: What is the English name of 1-benzyl-3,5-dichloropyrazin-2-one? |
| A: The English name of 1-benzyl-3,5-dichloropyrazin-2-one is 1-benzyl-3,5-dichloropyrazin-2-one. |
| Q: What is the molecular weight of 1-benzyl-3,5-dichloropyrazin-2-one? |
| A: Molecular weight of 1-benzyl-3,5-dichloropyrazin-2-one is 255.10000. |
| Q: What is the CAS number of 1-benzyl-3,5-dichloropyrazin-2-one? |
| A: CAS number of 1-benzyl-3,5-dichloropyrazin-2-one is 87486-35-9. |
| Q: What is the polar surface area (PSA) of 1-benzyl-3,5-dichloropyrazin-2-one? |
| A: Polar surface area (PSA) of 1-benzyl-3,5-dichloropyrazin-2-one is 34.89000. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |