BAS 00533991
TL;DR: BAS 00533991 (CAS 299952-52-6) is a chemical compound with molecular formula C17H19NO5S2 and molecular weight 381.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid
Also Known As: BAS 00533991, 2-[(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid, (Z)-2-(5-(3-ethoxy-4-hydroxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-methylbutanoic acid, F0385-0599, 2-[(5Z)-5-(3-ethoxy-4-hydroxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-3-methylbutanoic acid
| Molecular Formula | C17H19NO5S2 |
|---|---|
| Molecular Weight | 381.07 g/mol |
| LogP | 3.1013 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.07047 |
| Heavy Atoms | 25 |
| Complexity | 744.5538 |
Chemical Identifiers
| CAS Number | 299952-52-6 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)C(C(C)C)C(=O)O)O |
Product Overview
BAS 00533991 (CAS 299952-52-6), with molecular formula C17H19NO5S2 and molecular weight 381.07 g/mol. IUPAC: 2-[(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid.
Chemical Property Profile of BAS 00533991
Property Insights of BAS 00533991
The XLogP value of 3.1013 indicates that BAS 00533991 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.07 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00533991. Following Lipinski's Rule of Five, BAS 00533991 has 2 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 00533991?
The CAS number of BAS 00533991 is 299952-52-6.
What is the molecular formula of BAS 00533991?
The molecular formula of BAS 00533991 is C17H19NO5S2.
What is the molecular weight of BAS 00533991?
The molecular weight of BAS 00533991 is 381.07 g/mol.
Where can I buy BAS 00533991?
You can request a quote for BAS 00533991 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00533991?
Yes, KEHONG BIO provides custom synthesis services for BAS 00533991 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.