 Home > Encyclopedia > rel-1,1-Dimethylethyl (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoate

rel-1,1-Dimethylethyl (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoate

rel-1,1-Dimethylethyl (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoate structure

CAS No:
129332-29-2
Formula:
C28H34FNO4
Chemical Name:
rel-1,1-Dimethylethyl (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoate
Synonyms:
6-Heptenoic acid,7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-,1,1-dimethylethyl ester,(3R,5S,6E)-rel-;6-Heptenoic acid,7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-,1,1-dimethylethyl ester,[R*,S*-(E)]-(±)-;rel-1,1-Dimethylethyl (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoate;6-Heptenoic acid,7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-,1,1-dimethylethyl ester,[R*,S*-(E)]-
Categories:
Active Pharmaceutical Ingredients > Circulatory System Drugs

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rel-1,1-Dimethylethyl (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoate Basic Attributes

Molecular Weight：

467.57

Exact Mass：

467.57

EC Number：

603-330-9

HScode：

2933997500

Characteristics

PSA：

71.69000

XLogP3：

5.44

Density：

1.13±0.1 g/cm3(Predicted)

Boiling Point：

642.3±55.0 °C(Predicted)

Flash Point：

342.2±31.5 °C

Refractive Index：

1.553

Vapor Pressure：

2.25E-17mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

GHS Classification：

H313 (100%): May be harmful in contact with skin [Acute toxicity, dermal]|P31, and 312|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:467.6
XLogP3:4.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:467.24718673
Monoisotopic Mass:467.24718673
Topological Polar Surface Area:71.7
Heavy Atom Count:34
Complexity:682
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Dayang Chem (Hangzhou) Co.,Ltd Contact Supplier

CN
4 YRS

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Manufactory Supplier of N-Diethyl-m-toluamide,6-Methyluracil,Anisole,4-Dimethoxybenzoic acid,CS (lacrimator),Daucosterol,N,N-Formylmorpholine,Epichlorohydrin,Tetramethylguanidine,Dimethicone,3

tert-Butyl (E)-3,5-dihydroxy-7-[3'-(4''-fluorophenyl)-1'-methylethyl-indol-2'-yl]-6-heptenoate

CAS No.: 129332-29-2

Grade: Industrial Grade

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Guide of rel-1,1-Dimethylethyl (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoate

Basic Attributes
Characteristics
Safety Information
Computed Properties
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rel-1,1-Dimethylethyl (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoate

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