AF-399/42100229
TL;DR: AF-399/42100229 (CAS 615271-87-9) is a chemical compound with molecular formula C21H23ClN2O3S and molecular weight 418.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[2-(diethylamino)ethyl]-5-thiophen-2-ylpyrrolidine-2,3-dione
Also Known As: AF-399/42100229, 4-(4-chlorobenzoyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one, (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[2-(diethylamino)ethyl]-5-thiophen-2-ylpyrrolidine-2,3-dione, (E)-(4-chlorophenyl)-[1-[2-(diethylazaniumyl)ethyl]-4,5-dioxo-2-thiophen-2-ylpyrrolidin-3-ylidene]methanolate, 4-(4-chlorobenzoyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-5-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C21H23ClN2O3S |
|---|---|
| Molecular Weight | 418.11 g/mol |
| LogP | 4.165 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.1118 |
| Heavy Atoms | 28 |
| Complexity | 873.5655 |
Chemical Identifiers
| CAS Number | 615271-87-9 |
|---|---|
| SMILES | CCN(CC)CCN1C(/C(=C(/C2=CC=C(C=C2)Cl)\O)/C(=O)C1=O)C3=CC=CS3 |
Product Overview
AF-399/42100229 (CAS 615271-87-9), with molecular formula C21H23ClN2O3S and molecular weight 418.11 g/mol. IUPAC: (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[2-(diethylamino)ethyl]-5-thiophen-2-ylpyrrolidine-2,3-dione.
Chemical Property Profile of AF-399/42100229
Property Insights of AF-399/42100229
The XLogP value of 4.165 indicates that AF-399/42100229 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-399/42100229. Following Lipinski's Rule of Five, AF-399/42100229 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-399/42100229?
The CAS number of AF-399/42100229 is 615271-87-9.
What is the molecular formula of AF-399/42100229?
The molecular formula of AF-399/42100229 is C21H23ClN2O3S.
What is the molecular weight of AF-399/42100229?
The molecular weight of AF-399/42100229 is 418.11 g/mol.
Where can I buy AF-399/42100229?
You can request a quote for AF-399/42100229 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42100229?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42100229 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.