ChemDiv1_024444
TL;DR: ChemDiv1_024444 (CAS 381200-89-1) is a chemical compound with molecular formula C25H27ClN2O5 and molecular weight 470.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
Also Known As: ChemDiv1_024444, AB00113810-01, 4-(4-chlorobenzoyl)-3-hydroxy-5-(4-methoxyphenyl)-1-[3-(morpholin-4-yl)propyl]-2,5-dihydro-1H-pyrrol-2-one, (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione, 4-(4-chlorobenzoyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(3-morpholinopropyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C25H27ClN2O5 |
|---|---|
| Molecular Weight | 470.16 g/mol |
| LogP | 3.4926 |
| Topological Polar Surface Area | 79.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.16086 |
| Heavy Atoms | 33 |
| Complexity | 1029.7677 |
Chemical Identifiers
| CAS Number | 381200-89-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)Cl)\O)/C(=O)C(=O)N2CCCN4CCOCC4 |
Product Overview
ChemDiv1_024444 (CAS 381200-89-1), with molecular formula C25H27ClN2O5 and molecular weight 470.16 g/mol. IUPAC: (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione.
Chemical Property Profile of ChemDiv1_024444
Property Insights of ChemDiv1_024444
The XLogP value of 3.4926 indicates that ChemDiv1_024444 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.31 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_024444. Following Lipinski's Rule of Five, ChemDiv1_024444 has 1 hydrogen bond donor(s) and 6 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 ChemDiv1_024444?
The CAS number of ChemDiv1_024444 is 381200-89-1.
What is the molecular formula of ChemDiv1_024444?
The molecular formula of ChemDiv1_024444 is C25H27ClN2O5.
What is the molecular weight of ChemDiv1_024444?
The molecular weight of ChemDiv1_024444 is 470.16 g/mol.
Where can I buy ChemDiv1_024444?
You can request a quote for ChemDiv1_024444 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_024444?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_024444 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.