![4-[3-(3-Carboxy-propyl)-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl]-benzoic acid structure](/static/products/3016/301688-77-7.webp)
4-[3-(3-Carboxy-propyl)-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl]-benzoic acid
TL;DR: 4-[3-(3-Carboxy-propyl)-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl]-benzoic acid (CAS 301688-77-7) is a chemical compound with molecular formula C16H15NO5S2 and molecular weight 365.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5Z)-5-[(4-methoxycarbonylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Also Known As: BAS 00872051, (Z)-4-(5-(4-(methoxycarbonyl)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid, 4-[3-(3-Carboxy-propyl)-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl]-benzoic acid, 4-{5-[4-(methoxycarbonyl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid, 4-(5-{[4-(methoxycarbonyl)phenyl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-y l)butanoic acid
| Molecular Formula | C16H15NO5S2 |
|---|---|
| Molecular Weight | 365.04 g/mol |
| LogP | 2.5392 |
| Topological Polar Surface Area | 83.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 365.03915 |
| Heavy Atoms | 24 |
| Complexity | 711.68286 |
Chemical Identifiers
| CAS Number | 301688-77-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)O |
Product Overview
4-[3-(3-Carboxy-propyl)-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl]-benzoic acid (CAS 301688-77-7), with molecular formula C16H15NO5S2 and molecular weight 365.04 g/mol. IUPAC: 4-[(5Z)-5-[(4-methoxycarbonylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid.
Chemical Property Profile of 4-[3-(3-Carboxy-propyl)-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl]-benzoic acid
Property Insights of 4-[3-(3-Carboxy-propyl)-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl]-benzoic acid
The XLogP value of 2.5392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[3-(3-Carboxy-propyl)-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl]-benzoic acid. The TPSA of 83.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[3-(3-Carboxy-propyl)-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl]-benzoic acid. Following Lipinski's Rule of Five, 4-[3-(3-Carboxy-propyl)-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl]-benzoic acid 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 4-[3-(3-Carboxy-propyl)-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl]-benzoic acid?
The CAS number of 4-[3-(3-Carboxy-propyl)-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl]-benzoic acid is 301688-77-7.
What is the molecular formula of 4-[3-(3-Carboxy-propyl)-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl]-benzoic acid?
The molecular formula of 4-[3-(3-Carboxy-propyl)-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl]-benzoic acid is C16H15NO5S2.
What is the molecular weight of 4-[3-(3-Carboxy-propyl)-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl]-benzoic acid?
The molecular weight of 4-[3-(3-Carboxy-propyl)-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl]-benzoic acid is 365.04 g/mol.
Where can I buy 4-[3-(3-Carboxy-propyl)-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl]-benzoic acid?
You can request a quote for 4-[3-(3-Carboxy-propyl)-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl]-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-[3-(3-Carboxy-propyl)-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl]-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(3-Carboxy-propyl)-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl]-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.