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CAS 52-53-9 Verapamil molecular structure lightbox
CAS RN: 52-53-9

Verapamil

  • Product code: SSC-159055
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 52-53-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

52-53-9 / 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile

Standard CAS: 52-53-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
52-53-9
Multi CAS
Yes
Molecular Formula
C27H38N2O4
Molecular Weight
454.600000
Exact Mass
454.283158
InChI
InChI=1S/C27H38N2O4/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
InChIKey
SGTNSNPWRIOYBX-UHFFFAOYSA-N

Physical Properties

Melting Point
< 25 °C
Boiling Point
BP: 245 °C at 0.01 mm Hg 243-246 °C at 1.00E-02 mm Hg
Physical Description
Solid
Appearance
Viscous, pale yellow oil
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.52
Rotatable bonds
13
H-bond acceptors
6
Molar refractivity
131.66
TPSA
63.95

LogP / Solubility

WLOGP
5.09
MLOGP
4.51
XLogP3
3.8
Consensus LogP
4.47
Log S (ESOL)
-5.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.4
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)
-1.88

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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