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CAS 67018-85-3 NORVERAPAMIL molecular structure lightbox
CAS RN: 67018-85-3

NORVERAPAMIL

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Batchno.20250902 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS67018-85-3
  • Purity/Analytical Methods: >99.0%
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67018-85-3 / 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-propan-2-ylpentanenitrile

Standard CAS: 67018-85-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67018-85-3
Multi CAS
Yes
Molecular Formula
C26H36N2O4
Molecular Weight
440.600000
Exact Mass
440.267508
InChI
InChI=1S/C26H36N2O4/c1-19(2)26(18-27,21-9-11-23(30-4)25(17-21)32-6)13-7-14-28-15-12-20-8-10-22(29-3)24(16-20)31-5/h8-11,16-17,19,28H,7,12-15H2,1-6H3
InChIKey
UPKQNCPKPOLASS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
13
H-bond acceptors
6
H-bond donors
1
Molar refractivity
127.03
TPSA
72.74

LogP / Solubility

WLOGP
4.75
MLOGP
4.21
XLogP3
3.3
Consensus LogP
4.09
Log S (ESOL)
-4.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.03
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)
-2.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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