2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-3-(3-fluo rophenyl)quinazolin-4-one

Modify Date: 2025-09-19 15:01:19

2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-3-(3-fluo rophenyl)quinazolin-4-one Structure
2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-3-(3-fluo rophenyl)quinazolin-4-one structure
 Common Name 2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-3-(3-fluo rophenyl)quinazolin-4-one
CAS Number 81262-74-0 Molecular Weight 508.99500
Density 1.38g/cm3 Boiling Point 716.4ºC at 760 mmHg
Molecular Formula C26H22ClFN4O2S Melting Point N/A
MSDS N/A Flash Point 387.1ºC

 Names

Name 2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-(3-fluorophenyl)quinazolin-4-one

 Chemical & Physical Properties

Density 1.38g/cm3
Boiling Point 716.4ºC at 760 mmHg
Molecular Formula C26H22ClFN4O2S
Molecular Weight 508.99500
Flash Point 387.1ºC
Exact Mass 508.11400
PSA 83.74000
LogP 4.62200
Index of Refraction 1.68
InChIKey OWVAWGNJADCSFL-UHFFFAOYSA-N
SMILES O=C(CSc1nc2ccccc2c(=O)n1-c1cccc(F)c1)N1CCN(c2ccc(Cl)cc2)CC1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TL2810300
CHEMICAL NAME :
Piperazine, 1-(4-chlorophenyl)-4-(((3-(3-fluorophenyl)-3,4-dihydr o-4-oxo-2-quinazoliny l) thio)acetyl)-
CAS REGISTRY NUMBER :
81262-74-0
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C26-H22-Cl-F-N4-O2-S
MOLECULAR WEIGHT :
509.03

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 32,24,1982

 Synthetic Route

3-(3-fluorophenyl)-2-mercaptoquinazolin-4(3H)-one structure

3-(3-fluorophen...

CAS#:65141-59-5

piperazine, 1-(chloroacetyl)-4-(4-chlorophenyl)- structure

piperazine, 1-(...

CAS#:60121-78-0

~58%

2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-3-(3-fluo rophenyl)quinazolin-4-one Structure

2-[2-[4-(4-chlo...

CAS#:81262-74-0

Literature: Lata; Satsangi; Srivastava; Kishor Arzneimittel-Forschung/Drug Research, 1982 , vol. 32, # 1 p. 24 - 27

 Precursor & DownStream

Precursor  2

DownStream  0

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Chemsrc provides CAS#:81262-74-0 MSDS, density, melting point, boiling point, structure, etc. Its name is 2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-3-(3-fluo rophenyl)quinazolin-4-one>> amp version: 2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-3-(3-fluo rophenyl)quinazolin-4-one

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