BAS 00865634
TL;DR: BAS 00865634 (CAS 332045-94-0) is a chemical compound with molecular formula C13H11N3O3S and molecular weight 289.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylsulfanyl-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: BAS 00865634, 2-(methylsulfanyl)-4-(2-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, 2-(methylthio)-4-(2-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, 6-hydroxy-2-(methylsulfanyl)-4-(2-nitrophenyl)-4,5-dihydropyridine-3-carbonitrile, 6-methylsulfanyl-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
| Molecular Formula | C13H11N3O3S |
|---|---|
| Molecular Weight | 289.05 g/mol |
| LogP | 2.29648 |
| Topological Polar Surface Area | 96.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.05212 |
| Heavy Atoms | 20 |
| Complexity | 648.5066 |
Chemical Identifiers
| CAS Number | 332045-94-0 |
|---|---|
| SMILES | CSC1=C(C(CC(=O)N1)C2=CC=CC=C2[N+](=O)[O-])C#N |
Product Overview
BAS 00865634 (CAS 332045-94-0), with molecular formula C13H11N3O3S and molecular weight 289.05 g/mol. IUPAC: 6-methylsulfanyl-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of BAS 00865634
Property Insights of BAS 00865634
The XLogP value of 2.29648 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00865634. The TPSA of 96.03 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00865634. Following Lipinski's Rule of Five, BAS 00865634 has 1 hydrogen bond donor(s) and 5 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 00865634?
The CAS number of BAS 00865634 is 332045-94-0.
What is the molecular formula of BAS 00865634?
The molecular formula of BAS 00865634 is C13H11N3O3S.
What is the molecular weight of BAS 00865634?
The molecular weight of BAS 00865634 is 289.05 g/mol.
Where can I buy BAS 00865634?
You can request a quote for BAS 00865634 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00865634?
Yes, KEHONG BIO provides custom synthesis services for BAS 00865634 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.