BAS 00865940
TL;DR: BAS 00865940 (CAS 332050-89-2) is a chemical compound with molecular formula C15H13N3O5S and molecular weight 347.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-cyano-6-methylsulfanyl-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: BAS 00865940, methyl 5-cyano-6-(methylthio)-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, F0421-0010, methyl 5-cyano-6-(methylsulfanyl)-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, methyl 5-cyano-6-methylsulfanyl-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
| Molecular Formula | C15H13N3O5S |
|---|---|
| Molecular Weight | 347.06 g/mol |
| LogP | 1.69558 |
| Topological Polar Surface Area | 122.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.0576 |
| Heavy Atoms | 24 |
| Complexity | 783.5594 |
Chemical Identifiers
| CAS Number | 332050-89-2 |
|---|---|
| SMILES | COC(=O)C1C(C(=C(NC1=O)SC)C#N)C2=CC=CC=C2[N+](=O)[O-] |
Product Overview
BAS 00865940 (CAS 332050-89-2), with molecular formula C15H13N3O5S and molecular weight 347.06 g/mol. IUPAC: methyl 5-cyano-6-methylsulfanyl-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of BAS 00865940
Property Insights of BAS 00865940
The XLogP value of 1.69558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00865940. The TPSA of 122.33 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00865940. Following Lipinski's Rule of Five, BAS 00865940 has 1 hydrogen bond donor(s) and 7 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 00865940?
The CAS number of BAS 00865940 is 332050-89-2.
What is the molecular formula of BAS 00865940?
The molecular formula of BAS 00865940 is C15H13N3O5S.
What is the molecular weight of BAS 00865940?
The molecular weight of BAS 00865940 is 347.06 g/mol.
Where can I buy BAS 00865940?
You can request a quote for BAS 00865940 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00865940?
Yes, KEHONG BIO provides custom synthesis services for BAS 00865940 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.