BAS 06172731
TL;DR: BAS 06172731 (CAS 667897-91-8) is a chemical compound with molecular formula C17H12N4S and molecular weight 304.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-2-amino-4,6-dimethyl-5-(thiophen-3-ylmethylidene)cyclopenta[b]pyridine-3,7-dicarbonitrile
Also Known As: BAS 06172731, 2-amino-4,6-dimethyl-5-(3-thienylmethylene)cyclopenta[2,1-b]pyridine-3,7-dicar bonitrile, (5E)-2-amino-4,6-dimethyl-5-(thiophen-3-ylmethylidene)cyclopenta[b]pyridine-3,7-dicarbonitrile, (E)-2-amino-4,6-dimethyl-5-(thiophen-3-ylmethylene)-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile
| Molecular Formula | C17H12N4S |
|---|---|
| Molecular Weight | 304.08 g/mol |
| LogP | 3.75668 |
| Topological Polar Surface Area | 86.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 304.07828 |
| Heavy Atoms | 22 |
| Complexity | 919.0441 |
Chemical Identifiers
| CAS Number | 667897-91-8 |
|---|---|
| SMILES | CC\1=C(C2=C(/C1=C/C3=CSC=C3)C(=C(C(=N2)N)C#N)C)C#N |
Product Overview
BAS 06172731 (CAS 667897-91-8), with molecular formula C17H12N4S and molecular weight 304.08 g/mol. IUPAC: (5E)-2-amino-4,6-dimethyl-5-(thiophen-3-ylmethylidene)cyclopenta[b]pyridine-3,7-dicarbonitrile.
Chemical Property Profile of BAS 06172731
Property Insights of BAS 06172731
The XLogP value of 3.75668 indicates that BAS 06172731 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.49 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06172731. Following Lipinski's Rule of Five, BAS 06172731 has 1 hydrogen bond donor(s) and 5 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 06172731?
The CAS number of BAS 06172731 is 667897-91-8.
What is the molecular formula of BAS 06172731?
The molecular formula of BAS 06172731 is C17H12N4S.
What is the molecular weight of BAS 06172731?
The molecular weight of BAS 06172731 is 304.08 g/mol.
Where can I buy BAS 06172731?
You can request a quote for BAS 06172731 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06172731?
Yes, KEHONG BIO provides custom synthesis services for BAS 06172731 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.