4-(4-fluorophenyl)-7-[[[5-[(2S)-1,1,1-trifluoro-2-hydroxybutan-2-yl]-1,3,4-oxadiazol-2-yl]amino]methyl]chromen-2-one

Modify Date: 2025-09-26 19:38:21

4-(4-fluorophenyl)-7-[[[5-[(2S)-1,1,1-trifluoro-2-hydroxybutan-2-yl]-1,3,4-oxadiazol-2-yl]amino]methyl]chromen-2-one structure	Common Name	4-(4-fluorophenyl)-7-[[[5-[(2S)-1,1,1-trifluoro-2-hydroxybutan-2-yl]-1,3,4-oxadiazol-2-yl]amino]methyl]chromen-2-one
	CAS Number	910656-27-8	Molecular Weight	463.38200
	Density	1.478g/cm3	Boiling Point	N/A
	Molecular Formula	C₂₂H₁₇F₄N₃O₄	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	4-(4-fluorophenyl)-7-[[[5-[(2S)-1,1,1-trifluoro-2-hydroxybutan-2-yl]-1,3,4-oxadiazol-2-yl]amino]methyl]chromen-2-one
Synonym	More Synonyms

Density	1.478g/cm3
Molecular Formula	C₂₂H₁₇F₄N₃O₄
Molecular Weight	463.38200
Exact Mass	463.11600
PSA	104.62000
LogP	4.17600
InChIKey	MAOIDRRXRLYJNV-NRFANRHFSA-N
SMILES	CCC(O)(c1nnc(NCc2ccc3c(-c4ccc(F)cc4)cc(=O)oc3c2)o1)C(F)(F)F

4-(4-fluorophen...

CAS#:910656-32-5

(2S)-2-(5-amino...

CAS#:1222175-45-2

~63%

4-(4-fluorophen...

CAS#:910656-27-8

Literature: Gosselin, Francis; Britton, Robert A.; Davies, Ian W.; Dolman, Sarah J.; Gauvreau, Danny; Hoerrner, R. Scott; Hughes, Gregory; Janey, Jacob; Lau, Stephen; Molinaro, Carmela; Nadeau, Christian; Oshea, Paul D.; Palucki, Michael; Sidler, Rick Journal of Organic Chemistry, 2010 , vol. 75, # 12 p. 4154 - 4160

(S)-N-((4-(4-fl...

CAS#:1229617-81-5

4-(4-fluorophen...

CAS#:910656-27-8

Literature: Journal of Organic Chemistry, , vol. 75, # 12 p. 4154 - 4160

Precursor 2
CAS#:1222175-45-2 (2S)-2-(5-amino... CAS#:1229617-81-5 (S)-N-((4-(4-fl...
DownStream 0

Name: Drug metabolism in NADPH fortified rat liver microsomes assessed as N-((4-(4-fluoroph...
Source: ChEMBL
Target: Liver microsome
External Id: CHEMBL3530466

Name: Activity of rat recombinant CYP3A1 expressed in baculovirus-infected insect cells ass...
Source: ChEMBL
Target: Cytochrome P450 3A1
External Id: CHEMBL3530295

Name: Activity of rat recombinant CYP3A2 expressed in baculovirus-infected insect cells ass...
Source: ChEMBL
Target: Cytochrome P450 3A2
External Id: CHEMBL3530296

Name: Activity of rat recombinant CYP1A1 expressed in baculovirus-infected insect cells ass...
Source: ChEMBL
Target: Cytochrome P450 1A1
External Id: CHEMBL3530293

Name: Activity of rat recombinant CYP1A2 expressed in baculovirus-infected insect cells ass...
Source: ChEMBL
Target: Cytochrome P450 1A2
External Id: CHEMBL3530294

Name: Drug metabolism in rat urine assessed as N-((4-(4-fluorophenyl)-2-oxochroman-7-yl)met...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3540946

Name: Inhibition of 5-LOX (unknown origin)
Source: ChEMBL
Target: Polyunsaturated fatty acid 5-lipoxygenase
External Id: CHEMBL4152533

Total 7, Current Page 1 of 1

setileuton

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.

4-(4-fluorophenyl)-7-[[[5-[(2S)-1,1,1-trifluoro-2-hydroxybutan-2-yl]-1,3,4-oxadiazol-2-yl]amino]methyl]chromen-2-one

Names

Chemical & Physical Properties

Synthetic Route

Precursor & DownStream

Bioassay

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.