AF-399/41115296
TL;DR: AF-399/41115296 (CAS 384365-87-1) is a chemical compound with molecular formula C24H18ClNO5S and molecular weight 467.05942 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[2-(2-chlorophenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]benzoate
Also Known As: AF-399/41115296, ethyl 4-[2-(2-chlorophenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]benzoate, Ethyl 4-[5-(2-chlorophenyl)-3-hydroxy-2-oxo-4-(2-thienylcarbonyl)-3-pyrrolinyl]benzoate, ethyl 4-[5-(2-chlorophenyl)-3-hydroxy-2-oxo-4-(2-thienylcarbonyl)-3-pyrrolinyl ]benzoate, ethyl 4-(2-(2-chlorophenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-1-yl)benzoate
Technical Specifications
| Molecular Formula | C24H18ClNO5S |
| Molecular Weight | 467.05942 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 467.05942 Da |
| Heavy Atoms | 32 |
| Complexity | 778.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC=CC=C4Cl |
| InChIKey | ASTYMLGTMPRRRR-UHFFFAOYSA-N |
Chemical Property Profile of AF-399/41115296
Property Insights of AF-399/41115296
The XLogP value of 5.4 indicates that AF-399/41115296 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41115296. Following Lipinski's Rule of Five, AF-399/41115296 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of AF-399/41115296?
The CAS number of AF-399/41115296 is 384365-87-1.
What is the molecular formula of AF-399/41115296?
The molecular formula of AF-399/41115296 is C24H18ClNO5S.
What is the molecular weight of AF-399/41115296?
The molecular weight of AF-399/41115296 is 467.05942 g/mol.
Where can I buy AF-399/41115296?
You can request a quote for AF-399/41115296 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AF-399/41115296?
Yes, CoreyChem provides custom synthesis services for AF-399/41115296 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.