AF-399/42016579
TL;DR: AF-399/42016579 (CAS 618369-32-7) is a chemical compound with molecular formula C25H20ClN3O4 and molecular weight 461.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
Also Known As: AF-399/42016579, 3-(1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one, 4-(1-benzofuran-2-ylcarbonyl)-5-(4-chlorophenyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C25H20ClN3O4 |
|---|---|
| Molecular Weight | 461.11 g/mol |
| LogP | 4.9513 |
| Topological Polar Surface Area | 88.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 461.11423 |
| Heavy Atoms | 33 |
| Complexity | 1323.0884 |
Chemical Identifiers
| CAS Number | 618369-32-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(O2)C(=O)C3=C(C(=O)N(C3C4=CC=C(C=C4)Cl)CCCN5C=CN=C5)O |
Product Overview
AF-399/42016579 (CAS 618369-32-7), with molecular formula C25H20ClN3O4 and molecular weight 461.11 g/mol. IUPAC: 3-(1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one.
Chemical Property Profile of AF-399/42016579
Property Insights of AF-399/42016579
The XLogP value of 4.9513 indicates that AF-399/42016579 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.57 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42016579. Following Lipinski's Rule of Five, AF-399/42016579 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 AF-399/42016579?
The CAS number of AF-399/42016579 is 618369-32-7.
What is the molecular formula of AF-399/42016579?
The molecular formula of AF-399/42016579 is C25H20ClN3O4.
What is the molecular weight of AF-399/42016579?
The molecular weight of AF-399/42016579 is 461.11 g/mol.
Where can I buy AF-399/42016579?
You can request a quote for AF-399/42016579 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42016579?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42016579 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.