BAS 06855390
TL;DR: BAS 06855390 (CAS 459413-40-2) is a chemical compound with molecular formula C16H15N3OS and molecular weight 297.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide
Also Known As: BAS 06855390, BIM-0028599.P001, AB00673439-01, N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide, N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)nicotinamide
| Molecular Formula | C16H15N3OS |
|---|---|
| Molecular Weight | 297.09 g/mol |
| LogP | 3.39188 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.0936 |
| Heavy Atoms | 21 |
| Complexity | 715.1136 |
Chemical Identifiers
| CAS Number | 459413-40-2 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CN=CC=C3 |
Product Overview
BAS 06855390 (CAS 459413-40-2), with molecular formula C16H15N3OS and molecular weight 297.09 g/mol. IUPAC: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide.
Chemical Property Profile of BAS 06855390
Property Insights of BAS 06855390
The XLogP value of 3.39188 indicates that BAS 06855390 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06855390. Following Lipinski's Rule of Five, BAS 06855390 has 1 hydrogen bond donor(s) and 4 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 06855390?
The CAS number of BAS 06855390 is 459413-40-2.
What is the molecular formula of BAS 06855390?
The molecular formula of BAS 06855390 is C16H15N3OS.
What is the molecular weight of BAS 06855390?
The molecular weight of BAS 06855390 is 297.09 g/mol.
Where can I buy BAS 06855390?
You can request a quote for BAS 06855390 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06855390?
Yes, KEHONG BIO provides custom synthesis services for BAS 06855390 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.