AF-399/40991798
TL;DR: AF-399/40991798 (CAS 381193-08-4) is a chemical compound with molecular formula C22H23ClN2O3 and molecular weight 398.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[3-(dimethylamino)propyl]-5-phenylpyrrolidine-2,3-dione
Also Known As: AF-399/40991798, AB00115912-01, 4-(4-chlorobenzoyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one, (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[3-(dimethylamino)propyl]-5-phenylpyrrolidine-2,3-dione, 4-(4-chlorobenzoyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-phenyl-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C22H23ClN2O3 |
|---|---|
| Molecular Weight | 398.14 g/mol |
| LogP | 3.7134 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.1397 |
| Heavy Atoms | 28 |
| Complexity | 891.7577 |
Chemical Identifiers
| CAS Number | 381193-08-4 |
|---|---|
| SMILES | CN(C)CCCN1C(/C(=C(/C2=CC=C(C=C2)Cl)\O)/C(=O)C1=O)C3=CC=CC=C3 |
Product Overview
AF-399/40991798 (CAS 381193-08-4), with molecular formula C22H23ClN2O3 and molecular weight 398.14 g/mol. IUPAC: (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[3-(dimethylamino)propyl]-5-phenylpyrrolidine-2,3-dione.
Chemical Property Profile of AF-399/40991798
Property Insights of AF-399/40991798
The XLogP value of 3.7134 indicates that AF-399/40991798 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40991798. Following Lipinski's Rule of Five, AF-399/40991798 has 1 hydrogen bond donor(s) and 4 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-399/40991798?
The CAS number of AF-399/40991798 is 381193-08-4.
What is the molecular formula of AF-399/40991798?
The molecular formula of AF-399/40991798 is C22H23ClN2O3.
What is the molecular weight of AF-399/40991798?
The molecular weight of AF-399/40991798 is 398.14 g/mol.
Where can I buy AF-399/40991798?
You can request a quote for AF-399/40991798 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40991798?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40991798 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.