BAS 00865945
TL;DR: BAS 00865945 (CAS 332050-94-9) is a chemical compound with molecular formula C18H17N3O7S and molecular weight 419.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanyl-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: BAS 00865945, AB00684296-01, F0421-0021, methyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, methyl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-hydroxy-4-(2-nitrophenyl)-3,4-dihydropyridine-3-carboxylate
| Molecular Formula | C18H17N3O7S |
|---|---|
| Molecular Weight | 419.08 g/mol |
| LogP | 1.62888 |
| Topological Polar Surface Area | 148.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 419.07874 |
| Heavy Atoms | 29 |
| Complexity | 922.27496 |
Chemical Identifiers
| CAS Number | 332050-94-9 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C(C(C(=O)N1)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C#N |
Product Overview
BAS 00865945 (CAS 332050-94-9), with molecular formula C18H17N3O7S and molecular weight 419.08 g/mol. IUPAC: methyl 5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanyl-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of BAS 00865945
Property Insights of BAS 00865945
The XLogP value of 1.62888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00865945. The TPSA of 148.63 Ų indicates high polarity, suggesting BAS 00865945 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00865945 has 1 hydrogen bond donor(s) and 9 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 00865945?
The CAS number of BAS 00865945 is 332050-94-9.
What is the molecular formula of BAS 00865945?
The molecular formula of BAS 00865945 is C18H17N3O7S.
What is the molecular weight of BAS 00865945?
The molecular weight of BAS 00865945 is 419.08 g/mol.
Where can I buy BAS 00865945?
You can request a quote for BAS 00865945 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00865945?
Yes, KEHONG BIO provides custom synthesis services for BAS 00865945 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.