BAS 00872041
TL;DR: BAS 00872041 (CAS 300558-23-0) is a chemical compound with molecular formula C14H13NO5S2 and molecular weight 339.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5E)-5-[(3,4-dihydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Also Known As: BAS 00872041, 4-[(5E)-5-(3,4-dihydroxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid, (E)-4-(5-(3,4-dihydroxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid, 4-{5-[(3,4-dihydroxyphenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}buta noic acid, 4-[(5E)-5-[(3,4-dihydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
| Molecular Formula | C14H13NO5S2 |
|---|---|
| Molecular Weight | 339.02 g/mol |
| LogP | 2.1638 |
| Topological Polar Surface Area | 98.07 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.02353 |
| Heavy Atoms | 22 |
| Complexity | 671.1971 |
Chemical Identifiers
| CAS Number | 300558-23-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)O)O)O |
Product Overview
BAS 00872041 (CAS 300558-23-0), with molecular formula C14H13NO5S2 and molecular weight 339.02 g/mol. IUPAC: 4-[(5E)-5-[(3,4-dihydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid.
Chemical Property Profile of BAS 00872041
Property Insights of BAS 00872041
The XLogP value of 2.1638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00872041. The TPSA of 98.07 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00872041. Following Lipinski's Rule of Five, BAS 00872041 has 3 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 BAS 00872041?
The CAS number of BAS 00872041 is 300558-23-0.
What is the molecular formula of BAS 00872041?
The molecular formula of BAS 00872041 is C14H13NO5S2.
What is the molecular weight of BAS 00872041?
The molecular weight of BAS 00872041 is 339.02 g/mol.
Where can I buy BAS 00872041?
You can request a quote for BAS 00872041 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00872041?
Yes, KEHONG BIO provides custom synthesis services for BAS 00872041 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.