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CAS 36622-28-3 S(-)-VERAPAMIL molecular structure lightbox
CAS RN: 36622-28-3

S(-)-VERAPAMIL

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260117 1mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS36622-28-3
  • Purity/Analytical Methods: >99.0%
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36622-28-3 / (2S)-2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride

Standard CAS: 36622-28-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
36622-28-3
Multi CAS
Yes
Molecular Formula
C27H39CLN2O4
Molecular Weight
491.100000
Exact Mass
490.259835
InChI
InChI=1S/C27H38N2O4.ClH/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6;/h9-12,17-18,20H,8,13-16H2,1-7H3;1H/t27-;/m0./s1
InChIKey
DOQPXTMNIUCOSY-YCBFMBTMSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
12
Fraction Csp3
0.52
Rotatable bonds
13
H-bond acceptors
6
H-bond donors
1
Molar refractivity
138.9
TPSA
63.95

LogP / Solubility

WLOGP
5.51
MLOGP
4.89
XLogP3
5.51
Consensus LogP
5.3
Log S (ESOL)
-5.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.99
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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