BAS 00533958
TL;DR: BAS 00533958 (CAS 299952-50-4) is a chemical compound with molecular formula C12H9NO4S2 and molecular weight 295.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5E)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: BAS 00533958, 2-[(5E)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid, (5-(3-HYDROXY-BENZYLIDENE)-4-OXO-2-THIOXO-THIAZOLIDIN-3-YL)-ACETIC ACID, 2-[(5E)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]aceticacid, (E)-2-(5-(3-hydroxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid
| Molecular Formula | C12H9NO4S2 |
|---|---|
| Molecular Weight | 295.00 g/mol |
| LogP | 1.678 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.9973 |
| Heavy Atoms | 19 |
| Complexity | 597.1471 |
Chemical Identifiers
| CAS Number | 299952-50-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)O)/C=C/2\C(=O)N(C(=S)S2)CC(=O)O |
Product Overview
BAS 00533958 (CAS 299952-50-4), with molecular formula C12H9NO4S2 and molecular weight 295.00 g/mol. IUPAC: 2-[(5E)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of BAS 00533958
Property Insights of BAS 00533958
The XLogP value of 1.678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00533958. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00533958. Following Lipinski's Rule of Five, BAS 00533958 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 00533958?
The CAS number of BAS 00533958 is 299952-50-4.
What is the molecular formula of BAS 00533958?
The molecular formula of BAS 00533958 is C12H9NO4S2.
What is the molecular weight of BAS 00533958?
The molecular weight of BAS 00533958 is 295.00 g/mol.
Where can I buy BAS 00533958?
You can request a quote for BAS 00533958 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00533958?
Yes, KEHONG BIO provides custom synthesis services for BAS 00533958 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.