BAS 00502993
TL;DR: BAS 00502993 (CAS 5564-31-8) is a chemical compound with molecular formula C14H13NO4S2 and molecular weight 323.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5E)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Also Known As: BAS 00502993, BIM-0026018.P001, 4-[(5E)-5-(3-hydroxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid, 4-[(5E)-5-[(3-hydroxyphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic acid, 4-[5-(3-hydroxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid
| Molecular Formula | C14H13NO4S2 |
|---|---|
| Molecular Weight | 323.03 g/mol |
| LogP | 2.4582 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.0286 |
| Heavy Atoms | 21 |
| Complexity | 627.15497 |
Chemical Identifiers
| CAS Number | 5564-31-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)O)/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)O |
Product Overview
BAS 00502993 (CAS 5564-31-8), with molecular formula C14H13NO4S2 and molecular weight 323.03 g/mol. IUPAC: 4-[(5E)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid.
Chemical Property Profile of BAS 00502993
Property Insights of BAS 00502993
The XLogP value of 2.4582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00502993. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00502993. Following Lipinski's Rule of Five, BAS 00502993 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 BAS 00502993?
The CAS number of BAS 00502993 is 5564-31-8.
What is the molecular formula of BAS 00502993?
The molecular formula of BAS 00502993 is C14H13NO4S2.
What is the molecular weight of BAS 00502993?
The molecular weight of BAS 00502993 is 323.03 g/mol.
Where can I buy BAS 00502993?
You can request a quote for BAS 00502993 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00502993?
Yes, KEHONG BIO provides custom synthesis services for BAS 00502993 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.