BAS 06900068
TL;DR: BAS 06900068 (CAS 445382-43-4) is a chemical compound with molecular formula C20H20FN3OS and molecular weight 369.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
Also Known As: BAS 06900068, 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide, AM-807/14146471, 2-({3-cyano-5H,6H,7H,8H,9H,10H-cycloocta[b]pyridin-2-yl}sulfanyl)-N-(3-fluorophenyl)acetamide, 2-((3-Cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio)-N-(3-fluorophenyl)acetamide
| Molecular Formula | C20H20FN3OS |
|---|---|
| Molecular Weight | 369.13 g/mol |
| LogP | 4.48218 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.1311 |
| Heavy Atoms | 26 |
| Complexity | 847.4353 |
Chemical Identifiers
| CAS Number | 445382-43-4 |
|---|---|
| SMILES | C1CCCC2=NC(=C(C=C2CC1)C#N)SCC(=O)NC3=CC(=CC=C3)F |
Product Overview
BAS 06900068 (CAS 445382-43-4), with molecular formula C20H20FN3OS and molecular weight 369.13 g/mol. IUPAC: 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide.
Chemical Property Profile of BAS 06900068
Property Insights of BAS 06900068
The XLogP value of 4.48218 indicates that BAS 06900068 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 06900068. Following Lipinski's Rule of Five, BAS 06900068 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 06900068?
The CAS number of BAS 06900068 is 445382-43-4.
What is the molecular formula of BAS 06900068?
The molecular formula of BAS 06900068 is C20H20FN3OS.
What is the molecular weight of BAS 06900068?
The molecular weight of BAS 06900068 is 369.13 g/mol.
Where can I buy BAS 06900068?
You can request a quote for BAS 06900068 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06900068?
Yes, KEHONG BIO provides custom synthesis services for BAS 06900068 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.