(E)-4-(4-(5-benzylidene-2-oxo-4-thioxothiazolidin-3-yl)butanamido)benzoic acid
TL;DR: (E)-4-(4-(5-benzylidene-2-oxo-4-thioxothiazolidin-3-yl)butanamido)benzoic acid (CAS 306322-70-3) is a chemical compound with molecular formula C21H18N2O4S2 and molecular weight 426.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[(5E)-5-benzylidene-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid
Also Known As: AB00684252-01, (E)-4-(4-(5-benzylidene-2-oxo-4-thioxothiazolidin-3-yl)butanamido)benzoic acid, F0385-0239, 4-[4-[(5E)-5-benzylidene-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid, 4-{4-[(5E)-2-OXO-5-(PHENYLMETHYLIDENE)-4-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]BUTANAMIDO}BENZOIC ACID
| Molecular Formula | C21H18N2O4S2 |
|---|---|
| Molecular Weight | 426.07 g/mol |
| LogP | 4.6408 |
| Topological Polar Surface Area | 86.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.0708 |
| Heavy Atoms | 29 |
| Complexity | 971.9354 |
Chemical Identifiers
| CAS Number | 306322-70-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/2\C(=S)N(C(=O)S2)CCCC(=O)NC3=CC=C(C=C3)C(=O)O |
Product Overview
(E)-4-(4-(5-benzylidene-2-oxo-4-thioxothiazolidin-3-yl)butanamido)benzoic acid (CAS 306322-70-3), with molecular formula C21H18N2O4S2 and molecular weight 426.07 g/mol. IUPAC: 4-[4-[(5E)-5-benzylidene-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid.
Chemical Property Profile of (E)-4-(4-(5-benzylidene-2-oxo-4-thioxothiazolidin-3-yl)butanamido)benzoic acid
Property Insights of (E)-4-(4-(5-benzylidene-2-oxo-4-thioxothiazolidin-3-yl)butanamido)benzoic acid
The XLogP value of 4.6408 indicates that (E)-4-(4-(5-benzylidene-2-oxo-4-thioxothiazolidin-3-yl)butanamido)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.71 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(4-(5-benzylidene-2-oxo-4-thioxothiazolidin-3-yl)butanamido)benzoic acid. Following Lipinski's Rule of Five, (E)-4-(4-(5-benzylidene-2-oxo-4-thioxothiazolidin-3-yl)butanamido)benzoic acid has 2 hydrogen bond donor(s) and 5 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 (E)-4-(4-(5-benzylidene-2-oxo-4-thioxothiazolidin-3-yl)butanamido)benzoic acid?
The CAS number of (E)-4-(4-(5-benzylidene-2-oxo-4-thioxothiazolidin-3-yl)butanamido)benzoic acid is 306322-70-3.
What is the molecular formula of (E)-4-(4-(5-benzylidene-2-oxo-4-thioxothiazolidin-3-yl)butanamido)benzoic acid?
The molecular formula of (E)-4-(4-(5-benzylidene-2-oxo-4-thioxothiazolidin-3-yl)butanamido)benzoic acid is C21H18N2O4S2.
What is the molecular weight of (E)-4-(4-(5-benzylidene-2-oxo-4-thioxothiazolidin-3-yl)butanamido)benzoic acid?
The molecular weight of (E)-4-(4-(5-benzylidene-2-oxo-4-thioxothiazolidin-3-yl)butanamido)benzoic acid is 426.07 g/mol.
Where can I buy (E)-4-(4-(5-benzylidene-2-oxo-4-thioxothiazolidin-3-yl)butanamido)benzoic acid?
You can request a quote for (E)-4-(4-(5-benzylidene-2-oxo-4-thioxothiazolidin-3-yl)butanamido)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-(4-(5-benzylidene-2-oxo-4-thioxothiazolidin-3-yl)butanamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(4-(5-benzylidene-2-oxo-4-thioxothiazolidin-3-yl)butanamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.