BAS 00865941
TL;DR: BAS 00865941 (CAS 332050-90-5) is a chemical compound with molecular formula C16H15N3O5S and molecular weight 361.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-cyano-6-ethylsulfanyl-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: BAS 00865941, methyl 5-cyano-6-(ethylsulfanyl)-2-hydroxy-4-(2-nitrophenyl)-3,4-dihydropyridine-3-carboxylate, F0421-0012, methyl 5-cyano-6-(ethylthio)-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, methyl 5-cyano-6-ethylsulfanyl-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
| Molecular Formula | C16H15N3O5S |
|---|---|
| Molecular Weight | 361.07 g/mol |
| LogP | 2.08568 |
| Topological Polar Surface Area | 122.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.07324 |
| Heavy Atoms | 25 |
| Complexity | 799.2051 |
Chemical Identifiers
| CAS Number | 332050-90-5 |
|---|---|
| SMILES | CCSC1=C(C(C(C(=O)N1)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C#N |
Product Overview
BAS 00865941 (CAS 332050-90-5), with molecular formula C16H15N3O5S and molecular weight 361.07 g/mol. IUPAC: methyl 5-cyano-6-ethylsulfanyl-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of BAS 00865941
Property Insights of BAS 00865941
The XLogP value of 2.08568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00865941. The TPSA of 122.33 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00865941. Following Lipinski's Rule of Five, BAS 00865941 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 00865941?
The CAS number of BAS 00865941 is 332050-90-5.
What is the molecular formula of BAS 00865941?
The molecular formula of BAS 00865941 is C16H15N3O5S.
What is the molecular weight of BAS 00865941?
The molecular weight of BAS 00865941 is 361.07 g/mol.
Where can I buy BAS 00865941?
You can request a quote for BAS 00865941 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00865941?
Yes, KEHONG BIO provides custom synthesis services for BAS 00865941 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.