ChemDiv3_003271
TL;DR: ChemDiv3_003271 (CAS 442525-23-7) is a chemical compound with molecular formula C26H31ClN2O4 and molecular weight 470.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)-1-[2-(diethylamino)ethyl]-4-[(4-ethoxy-3-methylphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione
Also Known As: ChemDiv3_003271, 5-(4-chlorophenyl)-1-(2-diethylaminoethyl)-4-[(4-ethoxy-3-methylphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione, 5-(4-chlorophenyl)-1-[2-(diethylamino)ethyl]-4-(4-ethoxy-3-methylbenzoyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one
| Molecular Formula | C26H31ClN2O4 |
|---|---|
| Molecular Weight | 470.20 g/mol |
| LogP | 4.81062 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 470.19724 |
| Heavy Atoms | 33 |
| Complexity | 1044.7574 |
Chemical Identifiers
| CAS Number | 442525-23-7 |
|---|---|
| SMILES | CCN(CC)CCN1C(C(=C(C2=CC(=C(C=C2)OCC)C)O)C(=O)C1=O)C3=CC=C(C=C3)Cl |
Product Overview
ChemDiv3_003271 (CAS 442525-23-7), with molecular formula C26H31ClN2O4 and molecular weight 470.20 g/mol. IUPAC: 5-(4-chlorophenyl)-1-[2-(diethylamino)ethyl]-4-[(4-ethoxy-3-methylphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione.
Chemical Property Profile of ChemDiv3_003271
Property Insights of ChemDiv3_003271
The XLogP value of 4.81062 indicates that ChemDiv3_003271 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.08 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_003271. Following Lipinski's Rule of Five, ChemDiv3_003271 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 ChemDiv3_003271?
The CAS number of ChemDiv3_003271 is 442525-23-7.
What is the molecular formula of ChemDiv3_003271?
The molecular formula of ChemDiv3_003271 is C26H31ClN2O4.
What is the molecular weight of ChemDiv3_003271?
The molecular weight of ChemDiv3_003271 is 470.20 g/mol.
Where can I buy ChemDiv3_003271?
You can request a quote for ChemDiv3_003271 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003271?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003271 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.