![4-[(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid structure](/static/products/854/854002-68-9.png)
4-[(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid
TL;DR: 4-[(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid (CAS 854002-68-9) is a chemical compound with molecular formula C18H11N3O3S2 and molecular weight 381.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(benzimidazol-2-ylidenemethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]benzoic acid
Also Known As: 4-[(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid, 4-[5-(benzimidazol-2-ylmethylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid, (Z)-4-(5-((1H-benzo[d]imidazol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid, 4-[(5E)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid, 4-[(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
| Molecular Formula | C18H11N3O3S2 |
|---|---|
| Molecular Weight | 381.02 g/mol |
| LogP | 2.92349 |
| Topological Polar Surface Area | 87.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.02417 |
| Heavy Atoms | 26 |
| Complexity | 1200.9211 |
Chemical Identifiers
| CAS Number | 854002-68-9 |
|---|---|
| SMILES | C1=CC2=NC(=CC3=C(N(C(=S)S3)C4=CC=C(C=C4)C(=O)O)O)N=C2C=C1 |
Product Overview
4-[(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid (CAS 854002-68-9), with molecular formula C18H11N3O3S2 and molecular weight 381.02 g/mol. IUPAC: 4-[5-(benzimidazol-2-ylidenemethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]benzoic acid.
Chemical Property Profile of 4-[(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid
Property Insights of 4-[(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid
The XLogP value of 2.92349 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid. The TPSA of 87.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid. Following Lipinski's Rule of Five, 4-[(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid has 2 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 4-[(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid?
The CAS number of 4-[(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid is 854002-68-9.
What is the molecular formula of 4-[(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid?
The molecular formula of 4-[(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid is C18H11N3O3S2.
What is the molecular weight of 4-[(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid?
The molecular weight of 4-[(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid is 381.02 g/mol.
Where can I buy 4-[(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid?
You can request a quote for 4-[(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.