BAS 00865559
TL;DR: BAS 00865559 (CAS 330181-05-0) is a chemical compound with molecular formula C14H12ClN3O2S and molecular weight 321.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
Also Known As: BAS 00865559, AB00080288-01, AE-848/11420872, 2-{[4-(4-chlorophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide, 2-[[4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
| Molecular Formula | C14H12ClN3O2S |
|---|---|
| Molecular Weight | 321.03 g/mol |
| LogP | 1.89718 |
| Topological Polar Surface Area | 95.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.03387 |
| Heavy Atoms | 21 |
| Complexity | 649.1781 |
Chemical Identifiers
| CAS Number | 330181-05-0 |
|---|---|
| SMILES | C1C(C(=C(NC1=O)SCC(=O)N)C#N)C2=CC=C(C=C2)Cl |
Product Overview
BAS 00865559 (CAS 330181-05-0), with molecular formula C14H12ClN3O2S and molecular weight 321.03 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 00865559
Property Insights of BAS 00865559
The XLogP value of 1.89718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00865559. The TPSA of 95.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00865559. Following Lipinski's Rule of Five, BAS 00865559 has 2 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 00865559?
The CAS number of BAS 00865559 is 330181-05-0.
What is the molecular formula of BAS 00865559?
The molecular formula of BAS 00865559 is C14H12ClN3O2S.
What is the molecular weight of BAS 00865559?
The molecular weight of BAS 00865559 is 321.03 g/mol.
Where can I buy BAS 00865559?
You can request a quote for BAS 00865559 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00865559?
Yes, KEHONG BIO provides custom synthesis services for BAS 00865559 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.