ChemDiv1_023562
TL;DR: ChemDiv1_023562 (CAS 439132-99-7) is a chemical compound with molecular formula C26H22ClNO5 and molecular weight 463.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-(3-chloro-4-methylphenyl)-5-(3,4-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Also Known As: ChemDiv1_023562, (4E)-1-(3-chloro-4-methylphenyl)-5-(3,4-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione, AO-022/13766378, 4-benzoyl-1-(3-chloro-4-methylphenyl)-5-(3,4-dimethoxyphenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one, 4-benzoyl-1-(3-chloro-4-methylphenyl)-5-(3,4-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one
| Molecular Formula | C26H22ClNO5 |
|---|---|
| Molecular Weight | 463.12 g/mol |
| LogP | 5.29192 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 463.11865 |
| Heavy Atoms | 33 |
| Complexity | 1268.9288 |
Chemical Identifiers
| CAS Number | 439132-99-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(/C(=C(/C3=CC=CC=C3)\O)/C(=O)C2=O)C4=CC(=C(C=C4)OC)OC)Cl |
Product Overview
ChemDiv1_023562 (CAS 439132-99-7), with molecular formula C26H22ClNO5 and molecular weight 463.12 g/mol. IUPAC: (4E)-1-(3-chloro-4-methylphenyl)-5-(3,4-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione.
Chemical Property Profile of ChemDiv1_023562
Property Insights of ChemDiv1_023562
The XLogP value of 5.29192 indicates that ChemDiv1_023562 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_023562. Following Lipinski's Rule of Five, ChemDiv1_023562 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_023562?
The CAS number of ChemDiv1_023562 is 439132-99-7.
What is the molecular formula of ChemDiv1_023562?
The molecular formula of ChemDiv1_023562 is C26H22ClNO5.
What is the molecular weight of ChemDiv1_023562?
The molecular weight of ChemDiv1_023562 is 463.12 g/mol.
Where can I buy ChemDiv1_023562?
You can request a quote for ChemDiv1_023562 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023562?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023562 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.