![3-[(5-Benzylidene-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid structure](/static/products/4438/443876-37-7.webp)
3-[(5-Benzylidene-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid
TL;DR: 3-[(5-Benzylidene-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid (CAS 443876-37-7) is a chemical compound with molecular formula C18H14N2O3S and molecular weight 338.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(5Z)-5-benzylidene-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
Also Known As: 3-[(5-benzylidene-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid, AN-698/40704961, 3-[[(5Z)-5-benzylidene-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid, 3-((e)-((z)-5-benzylidene-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid, 3-{[(2E,5Z)-5-benzylidene-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid
| Molecular Formula | C18H14N2O3S |
|---|---|
| Molecular Weight | 338.07 g/mol |
| LogP | 3.6186 |
| Topological Polar Surface Area | 69.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.0725 |
| Heavy Atoms | 24 |
| Complexity | 859.5774 |
Chemical Identifiers
| CAS Number | 443876-37-7 |
|---|---|
| SMILES | CN1C(=O)/C(=C/C2=CC=CC=C2)/SC1=NC3=CC=CC(=C3)C(=O)O |
Product Overview
3-[(5-Benzylidene-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid (CAS 443876-37-7), with molecular formula C18H14N2O3S and molecular weight 338.07 g/mol. IUPAC: 3-[[(5Z)-5-benzylidene-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid.
Chemical Property Profile of 3-[(5-Benzylidene-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid
Property Insights of 3-[(5-Benzylidene-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid
The XLogP value of 3.6186 indicates that 3-[(5-Benzylidene-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(5-Benzylidene-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid. Following Lipinski's Rule of Five, 3-[(5-Benzylidene-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid has 1 hydrogen bond donor(s) and 4 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 3-[(5-Benzylidene-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid?
The CAS number of 3-[(5-Benzylidene-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid is 443876-37-7.
What is the molecular formula of 3-[(5-Benzylidene-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid?
The molecular formula of 3-[(5-Benzylidene-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid is C18H14N2O3S.
What is the molecular weight of 3-[(5-Benzylidene-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid?
The molecular weight of 3-[(5-Benzylidene-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid is 338.07 g/mol.
Where can I buy 3-[(5-Benzylidene-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid?
You can request a quote for 3-[(5-Benzylidene-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(5-Benzylidene-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(5-Benzylidene-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.