(Z)-4-((4-oxo-3-(2-sulfoethyl)-2-thioxothiazolidin-5-ylidene)methyl)benzoic acid
TL;DR: (Z)-4-((4-oxo-3-(2-sulfoethyl)-2-thioxothiazolidin-5-ylidene)methyl)benzoic acid (CAS 853903-61-4) is a chemical compound with molecular formula C13H11NO6S3 and molecular weight 372.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(Z)-[4-oxo-2-sulfanylidene-3-(2-sulfoethyl)-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
Also Known As: F1691-1453, 4-{[(5Z)-4-OXO-2-SULFANYLIDENE-3-(2-SULFOETHYL)-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}BENZOIC ACID, (Z)-4-((4-oxo-3-(2-sulfoethyl)-2-thioxothiazolidin-5-ylidene)methyl)benzoic acid, 4-[(Z)-[4-oxo-2-sulfanylidene-3-(2-sulfoethyl)-1,3-thiazolidin-5-ylidene]methyl]benzoic acid, 4-[[4-oxo-2-sulfanylidene-3-(2-sulfoethyl)-1,3-thiazolidin-5-ylidene]methyl]benzoic Acid
| Molecular Formula | C13H11NO6S3 |
|---|---|
| Molecular Weight | 372.97 g/mol |
| LogP | 1.4738 |
| Topological Polar Surface Area | 111.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.97485 |
| Heavy Atoms | 23 |
| Complexity | 797.50366 |
Chemical Identifiers
| CAS Number | 853903-61-4 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C\2/C(=O)N(C(=S)S2)CCS(=O)(=O)O)C(=O)O |
Product Overview
(Z)-4-((4-oxo-3-(2-sulfoethyl)-2-thioxothiazolidin-5-ylidene)methyl)benzoic acid (CAS 853903-61-4), with molecular formula C13H11NO6S3 and molecular weight 372.97 g/mol. IUPAC: 4-[(Z)-[4-oxo-2-sulfanylidene-3-(2-sulfoethyl)-1,3-thiazolidin-5-ylidene]methyl]benzoic acid.
Chemical Property Profile of (Z)-4-((4-oxo-3-(2-sulfoethyl)-2-thioxothiazolidin-5-ylidene)methyl)benzoic acid
Property Insights of (Z)-4-((4-oxo-3-(2-sulfoethyl)-2-thioxothiazolidin-5-ylidene)methyl)benzoic acid
The XLogP value of 1.4738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-4-((4-oxo-3-(2-sulfoethyl)-2-thioxothiazolidin-5-ylidene)methyl)benzoic acid. The TPSA of 111.98 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-4-((4-oxo-3-(2-sulfoethyl)-2-thioxothiazolidin-5-ylidene)methyl)benzoic acid. Following Lipinski's Rule of Five, (Z)-4-((4-oxo-3-(2-sulfoethyl)-2-thioxothiazolidin-5-ylidene)methyl)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 (Z)-4-((4-oxo-3-(2-sulfoethyl)-2-thioxothiazolidin-5-ylidene)methyl)benzoic acid?
The CAS number of (Z)-4-((4-oxo-3-(2-sulfoethyl)-2-thioxothiazolidin-5-ylidene)methyl)benzoic acid is 853903-61-4.
What is the molecular formula of (Z)-4-((4-oxo-3-(2-sulfoethyl)-2-thioxothiazolidin-5-ylidene)methyl)benzoic acid?
The molecular formula of (Z)-4-((4-oxo-3-(2-sulfoethyl)-2-thioxothiazolidin-5-ylidene)methyl)benzoic acid is C13H11NO6S3.
What is the molecular weight of (Z)-4-((4-oxo-3-(2-sulfoethyl)-2-thioxothiazolidin-5-ylidene)methyl)benzoic acid?
The molecular weight of (Z)-4-((4-oxo-3-(2-sulfoethyl)-2-thioxothiazolidin-5-ylidene)methyl)benzoic acid is 372.97 g/mol.
Where can I buy (Z)-4-((4-oxo-3-(2-sulfoethyl)-2-thioxothiazolidin-5-ylidene)methyl)benzoic acid?
You can request a quote for (Z)-4-((4-oxo-3-(2-sulfoethyl)-2-thioxothiazolidin-5-ylidene)methyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-4-((4-oxo-3-(2-sulfoethyl)-2-thioxothiazolidin-5-ylidene)methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-((4-oxo-3-(2-sulfoethyl)-2-thioxothiazolidin-5-ylidene)methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.