ChemDiv1_021790
TL;DR: ChemDiv1_021790 (CAS 309719-14-0) is a chemical compound with molecular formula C27H22ClNO6 and molecular weight 491.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3E)-2-(2-chlorophenyl)-3-[hydroxy-(4-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoate
Also Known As: ChemDiv1_021790, BAS 01029187, ETHYL 4-[2-(2-CHLOROPHENYL)-4-HYDROXY-3-(4-METHOXYBENZOYL)-5-OXO-2,5-DIHYDRO-1H-PYRROL-1-YL]BENZOATE, ethyl 4-(2-(2-chlorophenyl)-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate, ethyl 4-[(3E)-2-(2-chlorophenyl)-3-[hydroxy-(4-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoate
| Molecular Formula | C27H22ClNO6 |
|---|---|
| Molecular Weight | 491.11 g/mol |
| LogP | 5.1516 |
| Topological Polar Surface Area | 93.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 491.11356 |
| Heavy Atoms | 35 |
| Complexity | 1314.2579 |
Chemical Identifiers
| CAS Number | 309719-14-0 |
|---|---|
| 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=C4Cl |
Product Overview
ChemDiv1_021790 (CAS 309719-14-0), with molecular formula C27H22ClNO6 and molecular weight 491.11 g/mol. IUPAC: ethyl 4-[(3E)-2-(2-chlorophenyl)-3-[hydroxy-(4-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoate.
Chemical Property Profile of ChemDiv1_021790
Property Insights of ChemDiv1_021790
The XLogP value of 5.1516 indicates that ChemDiv1_021790 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_021790. Following Lipinski's Rule of Five, ChemDiv1_021790 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_021790?
The CAS number of ChemDiv1_021790 is 309719-14-0.
What is the molecular formula of ChemDiv1_021790?
The molecular formula of ChemDiv1_021790 is C27H22ClNO6.
What is the molecular weight of ChemDiv1_021790?
The molecular weight of ChemDiv1_021790 is 491.11 g/mol.
Where can I buy ChemDiv1_021790?
You can request a quote for ChemDiv1_021790 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021790?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021790 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.