3-O-methyl 5-O-[(E)-4-(4-methylsulfanylphenyl)but-3-enyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

3-O-methyl 5-O-[(E)-4-(4-methylsulfanylphenyl)but-3-enyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate 基本信息
CAS号 102106-31-0 分子式 C27H28N2O6S
分子量 508.58600 精确质量  508.16700
PSA  135.75000 LogP  6.22320

基本信息 展开↓

CAS号:
102106-31-0
分子式:
C27H28N2O6S
分子量:
508.58600
英文名称:
3-O-methyl 5-O-[(E)-4-(4-methylsulfanylphenyl)but-3-enyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
英文别名:
3-O-methyl 5-O-[(E)-4-(4-methylsulfanylphenyl)but-3-enyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;
3,5-Pyridinedicarboxylic acid,1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-,methyl 4-(4-(methylthio)phenyl)-3-butenyl ester
精确分子量/精确质量:
508.16700
极性分子表面积/PSA:
135.75000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。

物化性质展开↓

密度:
1.29g/cm3
沸点:
677.5ºC at 760mmHg
闪点:
363.5ºC
折射率:
1.625
蒸汽压:
3.27E-18mmHg at 25°C

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
US7975605
CHEMICAL NAME :
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 4-(4- (methylthio)phenyl)-3-butenyl ester
CAS REGISTRY NUMBER :
102106-31-0
LAST UPDATED :
199806
DATA ITEMS CITED :
1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4672068
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