BAS 00865861
TL;DR: BAS 00865861 (CAS 332050-73-4) is a chemical compound with molecular formula C14H14N2OS and molecular weight 258.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methylphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: BAS 00865861, AE-848/11828071, 4-(2-methylphenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile, F0421-0036, 2-(methylthio)-6-oxo-4-(o-tolyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile
| Molecular Formula | C14H14N2OS |
|---|---|
| Molecular Weight | 258.08 g/mol |
| LogP | 2.6967 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.08267 |
| Heavy Atoms | 18 |
| Complexity | 557.1576 |
Chemical Identifiers
| CAS Number | 332050-73-4 |
|---|---|
| SMILES | CC1=CC=CC=C1C2CC(=O)NC(=C2C#N)SC |
Product Overview
BAS 00865861 (CAS 332050-73-4), with molecular formula C14H14N2OS and molecular weight 258.08 g/mol. IUPAC: 4-(2-methylphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of BAS 00865861
Property Insights of BAS 00865861
The XLogP value of 2.6967 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00865861. With a topological polar surface area (TPSA) of 52.89 Ų, BAS 00865861 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00865861 has 1 hydrogen bond donor(s) and 3 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 00865861?
The CAS number of BAS 00865861 is 332050-73-4.
What is the molecular formula of BAS 00865861?
The molecular formula of BAS 00865861 is C14H14N2OS.
What is the molecular weight of BAS 00865861?
The molecular weight of BAS 00865861 is 258.08 g/mol.
Where can I buy BAS 00865861?
You can request a quote for BAS 00865861 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00865861?
Yes, KEHONG BIO provides custom synthesis services for BAS 00865861 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.