BIM-0041531.P001
TL;DR: BIM-0041531.P001 (CAS 340227-45-4) is a chemical compound with molecular formula C21H17BrN4O2 and molecular weight 436.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-2-amino-5-[(5-bromo-2,4-dimethoxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile
Also Known As: BIM-0041531.P001, (5Z)-2-amino-5-[(5-bromo-2,4-dimethoxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile, (5Z)-2-amino-5-(5-bromo-2,4-dimethoxybenzylidene)-4,6-dimethyl-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile, (Z)-2-amino-5-(5-bromo-2,4-dimethoxybenzylidene)-4,6-dimethyl-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile
| Molecular Formula | C21H17BrN4O2 |
|---|---|
| Molecular Weight | 436.05 g/mol |
| LogP | 4.47488 |
| Topological Polar Surface Area | 104.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 436.0535 |
| Heavy Atoms | 28 |
| Complexity | 1150.7065 |
Chemical Identifiers
| CAS Number | 340227-45-4 |
|---|---|
| SMILES | CC\1=C(C2=C(/C1=C\C3=CC(=C(C=C3OC)OC)Br)C(=C(C(=N2)N)C#N)C)C#N |
Product Overview
BIM-0041531.P001 (CAS 340227-45-4), with molecular formula C21H17BrN4O2 and molecular weight 436.05 g/mol. IUPAC: (5Z)-2-amino-5-[(5-bromo-2,4-dimethoxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile.
Chemical Property Profile of BIM-0041531.P001
Property Insights of BIM-0041531.P001
The XLogP value of 4.47488 indicates that BIM-0041531.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.95 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0041531.P001. Following Lipinski's Rule of Five, BIM-0041531.P001 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BIM-0041531.P001?
The CAS number of BIM-0041531.P001 is 340227-45-4.
What is the molecular formula of BIM-0041531.P001?
The molecular formula of BIM-0041531.P001 is C21H17BrN4O2.
What is the molecular weight of BIM-0041531.P001?
The molecular weight of BIM-0041531.P001 is 436.05 g/mol.
Where can I buy BIM-0041531.P001?
You can request a quote for BIM-0041531.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0041531.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0041531.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.