 Home > Encyclopedia > Methyl (3R,6E)-7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3-hydroxy-5-oxo-6-heptenoate

Methyl (3R,6E)-7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3-hydroxy-5-oxo-6-heptenoate

Methyl (3R,6E)-7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3-hydroxy-5-oxo-6-heptenoate structure

CAS No:
147118-39-6
Formula:
C23H28FN3O6S
Chemical Name:
Methyl (3R,6E)-7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3-hydroxy-5-oxo-6-heptenoate
Synonyms:
6-Heptenoic acid,7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3-hydroxy-5-oxo-,methyl ester,(3R,6E)-;6-Heptenoic acid,7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3-hydroxy-5-oxo-,methyl ester,[R-(E)]-;Methyl (3R,6E)-7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3-hydroxy-5-oxo-6-heptenoate
Categories:
Pharmaceutical Intermediates > Cardiovascular Agents

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Methyl (3R,6E)-7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3-hydroxy-5-oxo-6-heptenoate Basic Attributes

Molecular Weight：

493.548

Exact Mass：

493.55

EC Number：

604-567-0

Characteristics

PSA：

135.14000

XLogP3：

1.9

Density：

1.3±0.1 g/cm3

Boiling Point：

701.7±70.0 °C at 760 mmHg

Flash Point：

378.2±35.7 °C

Refractive Index：

1.569

Vapor Pressure：

1.15E-20mmHg at 25°C

Safety Information

Precautionary statement(s)：

P273, P501

Hazard Statements：

H413

GHS Classification：

H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]|P273, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:493.5
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:11
Exact Mass:493.16828496
Monoisotopic Mass:493.16828496
Topological Polar Surface Area:135
Heavy Atom Count:34
Complexity:823
Defined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Methyl (+)-(3R)-7-[4-(4-fluorophenyl)-6-isopropyl-2-(N-methyl-N-methanesulfonylamino)pyrimidin-5-yl]-3-hydroxy-5-oxo-(6E)-heptenoate

CAS No.: 147118-39-6

Content: 99.00%

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Guide of Methyl (3R,6E)-7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3-hydroxy-5-oxo-6-heptenoate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Recommended Suppliers
Latest News
Learn More Other Chemicals

Methyl (3R,6E)-7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3-hydroxy-5-oxo-6-heptenoate

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