RefChem:514583
TL;DR: RefChem:514583 (CAS 614736-75-3) is a chemical compound with molecular formula C15H15NO4S2 and molecular weight 337.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Also Known As: 3-Thiazolidinebutanoic acid, 5-[(4-methoxyphenyl)methylene]-4-oxo-2-thioxo-, (5Z)-, 3-Thiazolidinebutanoic acid,5-[(4-methoxyphenyl)methylene]-4-oxo-2-thioxo-, 4-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid, 4-{5-[(4-METHOXYPHENYL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL}BUTANOIC ACID, 4-[(5E)-5-[(4-methoxyphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic acid
| Molecular Formula | C15H15NO4S2 |
|---|---|
| Molecular Weight | 337.04 g/mol |
| LogP | 2.7612 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 337.04425 |
| Heavy Atoms | 22 |
| Complexity | 624.9346 |
Chemical Identifiers
| CAS Number | 614736-75-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)O |
Product Overview
RefChem:514583 (CAS 614736-75-3), with molecular formula C15H15NO4S2 and molecular weight 337.04 g/mol. IUPAC: 4-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid.
Chemical Property Profile of RefChem:514583
Property Insights of RefChem:514583
The XLogP value of 2.7612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:514583. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:514583. Following Lipinski's Rule of Five, RefChem:514583 has 1 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 RefChem:514583?
The CAS number of RefChem:514583 is 614736-75-3.
What is the molecular formula of RefChem:514583?
The molecular formula of RefChem:514583 is C15H15NO4S2.
What is the molecular weight of RefChem:514583?
The molecular weight of RefChem:514583 is 337.04 g/mol.
Where can I buy RefChem:514583?
You can request a quote for RefChem:514583 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:514583?
Yes, KEHONG BIO provides custom synthesis services for RefChem:514583 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.