AB00117681-01
TL;DR: AB00117681-01 (CAS 384854-83-5) is a chemical compound with molecular formula C21H21ClN2O3 and molecular weight 384.12 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-(dimethylamino)ethyl]-5-phenylpyrrolidine-2,3-dione
Also Known As: AB00117681-01, A2479/0105352, 4-(4-chlorobenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one, (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-[2-(dimethylamino)ethyl]-5-phenylpyrrolidine-2,3-dione, (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(2-dimethylaminoethyl)-5-phenylpyrrolidine-2,3-dione
| Molecular Formula | C21H21ClN2O3 |
|---|---|
| Molecular Weight | 384.12 g/mol |
| LogP | 3.3233 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.12408 |
| Heavy Atoms | 27 |
| Complexity | 876.0596 |
Chemical Identifiers
| CAS Number | 384854-83-5 |
|---|---|
| SMILES | CN(C)CCN1C(/C(=C(/C2=CC=C(C=C2)Cl)\O)/C(=O)C1=O)C3=CC=CC=C3 |
Product Overview
AB00117681-01 (CAS 384854-83-5), with molecular formula C21H21ClN2O3 and molecular weight 384.12 g/mol. IUPAC: (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[2-(dimethylamino)ethyl]-5-phenylpyrrolidine-2,3-dione.
Chemical Property Profile of AB00117681-01
Property Insights of AB00117681-01
The XLogP value of 3.3233 indicates that AB00117681-01 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 AB00117681-01. Following Lipinski's Rule of Five, AB00117681-01 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 AB00117681-01?
The CAS number of AB00117681-01 is 384854-83-5.
What is the molecular formula of AB00117681-01?
The molecular formula of AB00117681-01 is C21H21ClN2O3.
What is the molecular weight of AB00117681-01?
The molecular weight of AB00117681-01 is 384.12 g/mol.
Where can I buy AB00117681-01?
You can request a quote for AB00117681-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00117681-01?
Yes, KEHONG BIO provides custom synthesis services for AB00117681-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.