BAS 00865687
TL;DR: BAS 00865687 (CAS 328540-18-7) is a chemical compound with molecular formula C14H14N2O2S and molecular weight 274.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methoxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: BAS 00865687, 4-(4-methoxyphenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, 4-(4-methoxyphenyl)-2-(methylthio)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, 4-(4-methoxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
| Molecular Formula | C14H14N2O2S |
|---|---|
| Molecular Weight | 274.08 g/mol |
| LogP | 2.39688 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.0776 |
| Heavy Atoms | 19 |
| Complexity | 557.80383 |
Chemical Identifiers
| CAS Number | 328540-18-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)SC |
Product Overview
BAS 00865687 (CAS 328540-18-7), with molecular formula C14H14N2O2S and molecular weight 274.08 g/mol. IUPAC: 4-(4-methoxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of BAS 00865687
Property Insights of BAS 00865687
The XLogP value of 2.39688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00865687. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00865687. Following Lipinski's Rule of Five, BAS 00865687 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 00865687?
The CAS number of BAS 00865687 is 328540-18-7.
What is the molecular formula of BAS 00865687?
The molecular formula of BAS 00865687 is C14H14N2O2S.
What is the molecular weight of BAS 00865687?
The molecular weight of BAS 00865687 is 274.08 g/mol.
Where can I buy BAS 00865687?
You can request a quote for BAS 00865687 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00865687?
Yes, KEHONG BIO provides custom synthesis services for BAS 00865687 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.