CAS RN: 74764-40-2

Bepridil hydrochloride

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  • Product code: starshine_CAS74764-40-2
  • Purity/Analytical Methods: >99.0%
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74764-40-2 / N-benzyl-N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]aniline;hydrate;hydrochloride

Standard CAS: 74764-40-2 Multi CAS: Yes

Basic Information

CAS
74764-40-2
Multi CAS
Yes
Molecular Formula
C24H37CLN2O2
Molecular Weight
421.000000
Exact Mass
420.254356
InChI
InChI=1S/C24H34N2O.ClH.H2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22;;/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3;1H;1H2
InChIKey
UEECHQPWQHYEDE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
10
H-bond acceptors
3
H-bond donors
2
Molar refractivity
125.05
TPSA
47.21

LogP / Solubility

WLOGP
4.43
MLOGP
3.92
XLogP3
4.43
Consensus LogP
4.26
Log S (ESOL)
-4.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.27
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)
-2.14

Drug-likeness / Medicinal Chemistry

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

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