 Home > Encyclopedia > 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[(2R)-4-chloro-3-oxo-1-phenylbutan-2-yl]pentanamide

5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[(2R)-4-chloro-3-oxo-1-phenylbutan-2-yl]pentanamide

5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[(2R)-4-chloro-3-oxo-1-phenylbutan-2-yl]pentanamide structure

CAS No:
142009-30-1
Formula:
C20H26ClN3O3S
Chemical Name:
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[(2R)-4-chloro-3-oxo-1-phenylbutan-2-yl]pentanamide
Synonyms:
Bio-phe-CH2Cl; Biotinylphenylalanylchloromethane;

Request for Quotation

5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[(2R)-4-chloro-3-oxo-1-phenylbutan-2-yl]pentanamide Basic Attributes

Molecular Weight：

423.95700

Exact Mass：

423.1383406 g/mol

Characteristics

PSA：

119.58000

XLogP3：

3.05670

Density：

1.248g/cm3

Boiling Point：

734.1ºC

Flash Point：

397.7ºC

Refractive Index：

1.566

Vapor Pressure：

2.08E-21mmHg at 25°C

Drug Information

MeSH Entry Terms：

Bio-Phe-CH2Cl

Computed Properties

Molecular Weight:424.0
XLogP3:2.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:10
Exact Mass:423.1383406
Monoisotopic Mass:423.1383406
Topological Polar Surface Area:113
Heavy Atom Count:28
Complexity:571
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[(2R)-4-chloro-3-oxo-1-phenylbutan-2-yl]pentanamide

Basic Attributes
Characteristics
Drug Information
Computed Properties

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