ChemDiv1_021742
TL;DR: ChemDiv1_021742 (CAS 317324-12-2) is a chemical compound with molecular formula C27H23NO6 and molecular weight 457.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4E)-4-[hydroxy-(4-methoxyphenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]benzoate
Also Known As: ChemDiv1_021742, BAS 13117843, ethyl 4-(3-hydroxy-4-(4-methoxybenzoyl)-2-oxo-5-phenyl-2,5-dihydro-1H-pyrrol-1-yl)benzoate, ethyl 4-[(4E)-4-[hydroxy-(4-methoxyphenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]benzoate
| Molecular Formula | C27H23NO6 |
|---|---|
| Molecular Weight | 457.15 g/mol |
| LogP | 4.4982 |
| Topological Polar Surface Area | 93.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.15253 |
| Heavy Atoms | 34 |
| Complexity | 1246.5425 |
Chemical Identifiers
| CAS Number | 317324-12-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(/C(=C(/C3=CC=C(C=C3)OC)\O)/C(=O)C2=O)C4=CC=CC=C4 |
Product Overview
ChemDiv1_021742 (CAS 317324-12-2), with molecular formula C27H23NO6 and molecular weight 457.15 g/mol. IUPAC: ethyl 4-[(4E)-4-[hydroxy-(4-methoxyphenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]benzoate.
Chemical Property Profile of ChemDiv1_021742
Property Insights of ChemDiv1_021742
The XLogP value of 4.4982 indicates that ChemDiv1_021742 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.14 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_021742. Following Lipinski's Rule of Five, ChemDiv1_021742 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_021742?
The CAS number of ChemDiv1_021742 is 317324-12-2.
What is the molecular formula of ChemDiv1_021742?
The molecular formula of ChemDiv1_021742 is C27H23NO6.
What is the molecular weight of ChemDiv1_021742?
The molecular weight of ChemDiv1_021742 is 457.15 g/mol.
Where can I buy ChemDiv1_021742?
You can request a quote for ChemDiv1_021742 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021742?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021742 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.