BAS 06491129
TL;DR: BAS 06491129 (CAS 496779-17-0) is a chemical compound with molecular formula C16H11FN2O4S and molecular weight 346.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid
Also Known As: BAS 06491129, 2-{[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}pyridine-3-carboxylic acid, 2-[1-(4-Fluoro-phenyl)-2,5-dioxo-pyrrolidin-3-ylsulfanyl]-nicotinic acid, 2-[1-(4-fluorophenyl)-2,5-dioxoazolidin-3-ylthio]pyridine-3-carboxylic acid, 2-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid
| Molecular Formula | C16H11FN2O4S |
|---|---|
| Molecular Weight | 346.04 g/mol |
| LogP | 2.3431 |
| Topological Polar Surface Area | 87.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.04236 |
| Heavy Atoms | 24 |
| Complexity | 825.08203 |
Chemical Identifiers
| CAS Number | 496779-17-0 |
|---|---|
| SMILES | C1C(C(=O)N(C1=O)C2=CC=C(C=C2)F)SC3=C(C=CC=N3)C(=O)O |
Product Overview
BAS 06491129 (CAS 496779-17-0), with molecular formula C16H11FN2O4S and molecular weight 346.04 g/mol. IUPAC: 2-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid.
Chemical Property Profile of BAS 06491129
Property Insights of BAS 06491129
The XLogP value of 2.3431 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 06491129. The TPSA of 87.57 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06491129. Following Lipinski's Rule of Five, BAS 06491129 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 06491129?
The CAS number of BAS 06491129 is 496779-17-0.
What is the molecular formula of BAS 06491129?
The molecular formula of BAS 06491129 is C16H11FN2O4S.
What is the molecular weight of BAS 06491129?
The molecular weight of BAS 06491129 is 346.04 g/mol.
Where can I buy BAS 06491129?
You can request a quote for BAS 06491129 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06491129?
Yes, KEHONG BIO provides custom synthesis services for BAS 06491129 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.