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CAS 215529-47-8 Bamirastine molecular structure lightbox
CAS RN: 215529-47-8

Bamirastine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260418 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS215529-47-8
  • Purity/Analytical Methods: >99.0%
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215529-47-8 / 2-[6-[3-(4-benzhydryloxypiperidin-1-yl)propylamino]imidazo[1,2-b]pyridazin-2-yl]-2-methylpropanoic acid

Standard CAS: 215529-47-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
215529-47-8
Multi CAS
No
Molecular Formula
C31H37N5O3
Molecular Weight
527.700000
Exact Mass
527.289640
SMILES
CC(C)(C1=CN2C(=N1)C=CC(=N2)NCCCN3CCC(CC3)OC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O
InChI
InChI=1S/C31H37N5O3/c1-31(2,30(37)38)26-22-36-28(33-26)15-14-27(34-36)32-18-9-19-35-20-16-25(17-21-35)39-29(23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-8,10-15,22,25,29H,9,16-21H2,1-2H3,(H,32,34)(H,37,38)
InChIKey
WTBRUSNNZKWTMI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
21
Fraction Csp3
0.39
Rotatable bonds
11
H-bond acceptors
7
H-bond donors
2
Molar refractivity
152.03
TPSA
91.99

LogP / Solubility

WLOGP
5.16
MLOGP
4.58
XLogP3
2.8
Consensus LogP
4.18
Log S (ESOL)
-6.04
Class (ESOL)
Insoluble
Log S (Ali)
-7.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.7
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.27

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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