AF-399/41437997
TL;DR: AF-399/41437997 (CAS 526190-74-9) is a chemical compound with molecular formula C19H16N2O6S and molecular weight 400.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(2-ethoxycarbonylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid
Also Known As: AF-399/41437997, 2-({1-[2-(ethoxycarbonyl)phenyl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)pyridine-3-carboxylic acid, 2-((1-(2-(ethoxycarbonyl)phenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid, 2-({1-[2-(ethoxycarbonyl)phenyl]-2,5-dioxo-3-pyrrolidinyl}sulfanyl)nicotinic acid, 2-[1-(2-ethoxycarbonylphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic Acid
| Molecular Formula | C19H16N2O6S |
|---|---|
| Molecular Weight | 400.07 g/mol |
| LogP | 2.3807 |
| Topological Polar Surface Area | 113.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.0729 |
| Heavy Atoms | 28 |
| Complexity | 960.94495 |
Chemical Identifiers
| CAS Number | 526190-74-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)O |
Product Overview
AF-399/41437997 (CAS 526190-74-9), with molecular formula C19H16N2O6S and molecular weight 400.07 g/mol. IUPAC: 2-[1-(2-ethoxycarbonylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid.
Chemical Property Profile of AF-399/41437997
Property Insights of AF-399/41437997
The XLogP value of 2.3807 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/41437997. The TPSA of 113.87 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41437997. Following Lipinski's Rule of Five, AF-399/41437997 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 AF-399/41437997?
The CAS number of AF-399/41437997 is 526190-74-9.
What is the molecular formula of AF-399/41437997?
The molecular formula of AF-399/41437997 is C19H16N2O6S.
What is the molecular weight of AF-399/41437997?
The molecular weight of AF-399/41437997 is 400.07 g/mol.
Where can I buy AF-399/41437997?
You can request a quote for AF-399/41437997 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41437997?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41437997 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.