ChemDiv3_004724
TL;DR: ChemDiv3_004724 (CAS 431997-54-5) is a chemical compound with molecular formula C15H13NO6S and molecular weight 335.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
Also Known As: ChemDiv3_004724, AB00117155-01, 4-{(E)-[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoic acid, (E)-4-((3-(2-ethoxy-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)benzoic acid, 4-[(E)-[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
| Molecular Formula | C15H13NO6S |
|---|---|
| Molecular Weight | 335.05 g/mol |
| LogP | 1.9842 |
| Topological Polar Surface Area | 100.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.04636 |
| Heavy Atoms | 23 |
| Complexity | 694.4236 |
Chemical Identifiers
| CAS Number | 431997-54-5 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)/C(=C\C2=CC=C(C=C2)C(=O)O)/SC1=O |
Product Overview
ChemDiv3_004724 (CAS 431997-54-5), with molecular formula C15H13NO6S and molecular weight 335.05 g/mol. IUPAC: 4-[(E)-[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid.
Chemical Property Profile of ChemDiv3_004724
Property Insights of ChemDiv3_004724
The XLogP value of 1.9842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_004724. The TPSA of 100.98 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004724. Following Lipinski's Rule of Five, ChemDiv3_004724 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 ChemDiv3_004724?
The CAS number of ChemDiv3_004724 is 431997-54-5.
What is the molecular formula of ChemDiv3_004724?
The molecular formula of ChemDiv3_004724 is C15H13NO6S.
What is the molecular weight of ChemDiv3_004724?
The molecular weight of ChemDiv3_004724 is 335.05 g/mol.
Where can I buy ChemDiv3_004724?
You can request a quote for ChemDiv3_004724 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004724?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004724 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.