BAS 00639663
TL;DR: BAS 00639663 (CAS 117491-01-7) is a chemical compound with molecular formula C16H15ClN2OS and molecular weight 318.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-4-(4-chlorophenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyridine-3-carbonitrile
Also Known As: BAS 00639663, 1,4-Dihydro-5-acetyl-4-(4-chlorophenyl)-6-methyl-2-(methylthio)-3-pyridinecarbonitrile, 3-Pyridinecarbonitrile, 1,4-dihydro-5-acetyl-4-(4-chlorophenyl)-6-methyl-2-(methylthio)-, 5-acetyl-4-(4-chlorophenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyridine-3-carbonitrile, 5-acetyl-4-(4-chlorophenyl)-6-methyl-2-(methylsulfanyl)-1,4-dihydropyridine-3-carbonitrile
| Molecular Formula | C16H15ClN2OS |
|---|---|
| Molecular Weight | 318.06 g/mol |
| LogP | 3.98798 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.05936 |
| Heavy Atoms | 21 |
| Complexity | 683.2237 |
Chemical Identifiers
| CAS Number | 117491-01-7 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SC)C#N)C2=CC=C(C=C2)Cl)C(=O)C |
Product Overview
BAS 00639663 (CAS 117491-01-7), with molecular formula C16H15ClN2OS and molecular weight 318.06 g/mol. IUPAC: 5-acetyl-4-(4-chlorophenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyridine-3-carbonitrile.
Chemical Property Profile of BAS 00639663
Property Insights of BAS 00639663
The XLogP value of 3.98798 indicates that BAS 00639663 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, BAS 00639663 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00639663 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 00639663?
The CAS number of BAS 00639663 is 117491-01-7.
What is the molecular formula of BAS 00639663?
The molecular formula of BAS 00639663 is C16H15ClN2OS.
What is the molecular weight of BAS 00639663?
The molecular weight of BAS 00639663 is 318.06 g/mol.
Where can I buy BAS 00639663?
You can request a quote for BAS 00639663 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00639663?
Yes, KEHONG BIO provides custom synthesis services for BAS 00639663 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.