BAS 06172494
TL;DR: BAS 06172494 (CAS 577996-62-4) is a chemical compound with molecular formula C21H17ClN4O2 and molecular weight 392.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-2-amino-5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile
Also Known As: BAS 06172494, (5E)-2-amino-5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile, (E)-2-amino-5-(2-chloro-4,5-dimethoxybenzylidene)-4,6-dimethyl-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile
| Molecular Formula | C21H17ClN4O2 |
|---|---|
| Molecular Weight | 392.10 g/mol |
| LogP | 4.36578 |
| Topological Polar Surface Area | 104.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 392.104 |
| Heavy Atoms | 28 |
| Complexity | 1150.7065 |
Chemical Identifiers
| CAS Number | 577996-62-4 |
|---|---|
| SMILES | CC\1=C(C2=C(/C1=C/C3=CC(=C(C=C3Cl)OC)OC)C(=C(C(=N2)N)C#N)C)C#N |
Product Overview
BAS 06172494 (CAS 577996-62-4), with molecular formula C21H17ClN4O2 and molecular weight 392.10 g/mol. IUPAC: (5E)-2-amino-5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile.
Chemical Property Profile of BAS 06172494
Property Insights of BAS 06172494
The XLogP value of 4.36578 indicates that BAS 06172494 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 BAS 06172494. Following Lipinski's Rule of Five, BAS 06172494 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 BAS 06172494?
The CAS number of BAS 06172494 is 577996-62-4.
What is the molecular formula of BAS 06172494?
The molecular formula of BAS 06172494 is C21H17ClN4O2.
What is the molecular weight of BAS 06172494?
The molecular weight of BAS 06172494 is 392.10 g/mol.
Where can I buy BAS 06172494?
You can request a quote for BAS 06172494 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06172494?
Yes, KEHONG BIO provides custom synthesis services for BAS 06172494 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.