BAS 11178615
TL;DR: BAS 11178615 (CAS 796877-99-1) is a chemical compound with molecular formula C20H17FN4O3S and molecular weight 412.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-N-(2-fluorophenyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Also Known As: BAS 11178615, AB00686079-01, F1461-0351, 6-((2-amino-2-oxoethyl)thio)-5-cyano-N-(2-fluorophenyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide, 6-[(CARBAMOYLMETHYL)SULFANYL]-5-CYANO-N-(2-FLUOROPHENYL)-4-(FURAN-2-YL)-2-METHYL-1,4-DIHYDROPYRIDINE-3-CARBOXAMIDE
| Molecular Formula | C20H17FN4O3S |
|---|---|
| Molecular Weight | 412.10 g/mol |
| LogP | 2.97188 |
| Topological Polar Surface Area | 121.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.10052 |
| Heavy Atoms | 29 |
| Complexity | 1053.9287 |
Chemical Identifiers
| CAS Number | 796877-99-1 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)N)C#N)C2=CC=CO2)C(=O)NC3=CC=CC=C3F |
Product Overview
BAS 11178615 (CAS 796877-99-1), with molecular formula C20H17FN4O3S and molecular weight 412.10 g/mol. IUPAC: 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-N-(2-fluorophenyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of BAS 11178615
Property Insights of BAS 11178615
The XLogP value of 2.97188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 11178615. The TPSA of 121.15 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11178615. Following Lipinski's Rule of Five, BAS 11178615 has 3 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 11178615?
The CAS number of BAS 11178615 is 796877-99-1.
What is the molecular formula of BAS 11178615?
The molecular formula of BAS 11178615 is C20H17FN4O3S.
What is the molecular weight of BAS 11178615?
The molecular weight of BAS 11178615 is 412.10 g/mol.
Where can I buy BAS 11178615?
You can request a quote for BAS 11178615 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11178615?
Yes, KEHONG BIO provides custom synthesis services for BAS 11178615 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.