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CAS 42864-78-8 Bevantolol Hydrochloride molecular structure lightbox
CAS RN: 42864-78-8

Bevantolol Hydrochloride

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251003 1g In stock Inquiry
Batchno.20260419 250mg In stock Inquiry
Batchno.20250929 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260321 250mg / 1g / 5g Confirm by inquiry Shandong 5-7 business days Inquiry
  • Product code: ICTB5372
  • Purity/Analytical Methods: >98.0%(HPLC)
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42864-78-8 / 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol;hydrochloride

Standard CAS: 42864-78-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
42864-78-8
Multi CAS
Yes
Molecular Formula
C20H28CLNO4
Molecular Weight
381.900000
Exact Mass
381.170686
InChI
InChI=1S/C20H27NO4.ClH/c1-15-5-4-6-18(11-15)25-14-17(22)13-21-10-9-16-7-8-19(23-2)20(12-16)24-3;/h4-8,11-12,17,21-22H,9-10,13-14H2,1-3H3;1H
InChIKey
FJTKCFSPYUMXJB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
2
Molar refractivity
106.05
TPSA
59.95

LogP / Solubility

WLOGP
3.01
MLOGP
2.67
XLogP3
3.01
Consensus LogP
2.9
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.84
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.92

Drug-likeness / Medicinal Chemistry

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

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