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CAS 929622-09-3 Bavisant (dihydrochloride) molecular structure lightbox
CAS RN: 929622-09-3

Bavisant (dihydrochloride)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260516 2mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS929622-09-3
  • Purity/Analytical Methods: >99.0%
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929622-09-3 / (4-cyclopropylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone;hydrochloride

Standard CAS: 929622-09-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
929622-09-3
Multi CAS
Yes
Molecular Formula
C19H28CLN3O2
Molecular Weight
365.900000
Exact Mass
365.187005
InChI
InChI=1S/C19H27N3O2.2ClH/c23-19(22-9-7-21(8-10-22)18-5-6-18)17-3-1-16(2-4-17)15-20-11-13-24-14-12-20;;/h1-4,18H,5-15H2;2*1H
InChIKey
PBVFXCXXVLBYKF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.63
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
100.28
TPSA
36.02

LogP / Solubility

WLOGP
1.86
MLOGP
1.66
XLogP3
1.86
Consensus LogP
1.79
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.63

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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