BAS 00866204
TL;DR: BAS 00866204 (CAS 332051-53-3) is a chemical compound with molecular formula C15H16N2OS and molecular weight 272.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethylsulfanyl-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: BAS 00866204, AB00090608-01, 2-(ethylsulfanyl)-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, 6-ethylsulfanyl-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile, 2-(ethylsulfanyl)-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile
| Molecular Formula | C15H16N2OS |
|---|---|
| Molecular Weight | 272.10 g/mol |
| LogP | 3.0868 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.09833 |
| Heavy Atoms | 19 |
| Complexity | 554.5035 |
Chemical Identifiers
| CAS Number | 332051-53-3 |
|---|---|
| SMILES | CCSC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C)C#N |
Product Overview
BAS 00866204 (CAS 332051-53-3), with molecular formula C15H16N2OS and molecular weight 272.10 g/mol. IUPAC: 6-ethylsulfanyl-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of BAS 00866204
Property Insights of BAS 00866204
The XLogP value of 3.0868 indicates that BAS 00866204 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 00866204 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00866204 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 00866204?
The CAS number of BAS 00866204 is 332051-53-3.
What is the molecular formula of BAS 00866204?
The molecular formula of BAS 00866204 is C15H16N2OS.
What is the molecular weight of BAS 00866204?
The molecular weight of BAS 00866204 is 272.10 g/mol.
Where can I buy BAS 00866204?
You can request a quote for BAS 00866204 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00866204?
Yes, KEHONG BIO provides custom synthesis services for BAS 00866204 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.