AF-399/40991983
TL;DR: AF-399/40991983 (CAS 384368-20-1) is a chemical compound with molecular formula C24H22N2O6S2 and molecular weight 498.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: AF-399/40991983, ethyl 2-[2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-3-(thiophen-2-ylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, ethyl 2-(2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, ethyl 2-[2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-3-(2-thienylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, ethyl 2-[2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C24H22N2O6S2 |
|---|---|
| Molecular Weight | 498.09 g/mol |
| LogP | 4.87132 |
| Topological Polar Surface Area | 106.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 498.09192 |
| Heavy Atoms | 34 |
| Complexity | 1261.1311 |
Chemical Identifiers
| CAS Number | 384368-20-1 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NC(=C(S3)C(=O)OCC)C)O)C(=O)C4=CC=CS4 |
Product Overview
AF-399/40991983 (CAS 384368-20-1), with molecular formula C24H22N2O6S2 and molecular weight 498.09 g/mol. IUPAC: ethyl 2-[2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of AF-399/40991983
Property Insights of AF-399/40991983
The XLogP value of 4.87132 indicates that AF-399/40991983 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.03 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40991983. Following Lipinski's Rule of Five, AF-399/40991983 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 AF-399/40991983?
The CAS number of AF-399/40991983 is 384368-20-1.
What is the molecular formula of AF-399/40991983?
The molecular formula of AF-399/40991983 is C24H22N2O6S2.
What is the molecular weight of AF-399/40991983?
The molecular weight of AF-399/40991983 is 498.09 g/mol.
Where can I buy AF-399/40991983?
You can request a quote for AF-399/40991983 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40991983?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40991983 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.