AF-399/40713286
TL;DR: AF-399/40713286 (CAS 384368-49-4) is a chemical compound with molecular formula C22H21ClN2O4 and molecular weight 412.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 3-[[4-chloro-1-(4-ethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate
Also Known As: AF-399/40713286, propyl 3-{[4-chloro-1-(4-ethylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoate, propyl 3-[[4-chloro-1-(4-ethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate, propyl 3-((4-chloro-1-(4-ethylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)amino)benzoate, propyl 3-{[4-chloro-1-(4-ethylphenyl)-2,5-dioxoazolin-3-yl]amino}benzoate
| Molecular Formula | C22H21ClN2O4 |
|---|---|
| Molecular Weight | 412.12 g/mol |
| LogP | 4.2515 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.119 |
| Heavy Atoms | 29 |
| Complexity | 982.5617 |
Chemical Identifiers
| CAS Number | 384368-49-4 |
|---|---|
| SMILES | CCCOC(=O)C1=CC(=CC=C1)NC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)CC)Cl |
Product Overview
AF-399/40713286 (CAS 384368-49-4), with molecular formula C22H21ClN2O4 and molecular weight 412.12 g/mol. IUPAC: propyl 3-[[4-chloro-1-(4-ethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate.
Chemical Property Profile of AF-399/40713286
Property Insights of AF-399/40713286
The XLogP value of 4.2515 indicates that AF-399/40713286 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40713286. Following Lipinski's Rule of Five, AF-399/40713286 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-399/40713286?
The CAS number of AF-399/40713286 is 384368-49-4.
What is the molecular formula of AF-399/40713286?
The molecular formula of AF-399/40713286 is C22H21ClN2O4.
What is the molecular weight of AF-399/40713286?
The molecular weight of AF-399/40713286 is 412.12 g/mol.
Where can I buy AF-399/40713286?
You can request a quote for AF-399/40713286 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40713286?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40713286 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.