BAS 00533995
TL;DR: BAS 00533995 (CAS 928339-96-2) is a chemical compound with molecular formula C20H17NO4S2 and molecular weight 399.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid
Also Known As: BAS 00533995, IDI1_020624, 2-[(5Z)-5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid, BRD-A42513121-001-01-1, (Z)-2-(5-(3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-phenylpropanoic acid
| Molecular Formula | C20H17NO4S2 |
|---|---|
| Molecular Weight | 399.06 g/mol |
| LogP | 3.5923 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.0599 |
| Heavy Atoms | 27 |
| Complexity | 911.2075 |
Chemical Identifiers
| CAS Number | 928339-96-2 |
|---|---|
| SMILES | COC1=CC=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)C(CC3=CC=CC=C3)C(=O)O |
Product Overview
BAS 00533995 (CAS 928339-96-2), with molecular formula C20H17NO4S2 and molecular weight 399.06 g/mol. IUPAC: 2-[(5Z)-5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid.
Chemical Property Profile of BAS 00533995
Property Insights of BAS 00533995
The XLogP value of 3.5923 indicates that BAS 00533995 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00533995. Following Lipinski's Rule of Five, BAS 00533995 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 BAS 00533995?
The CAS number of BAS 00533995 is 928339-96-2.
What is the molecular formula of BAS 00533995?
The molecular formula of BAS 00533995 is C20H17NO4S2.
What is the molecular weight of BAS 00533995?
The molecular weight of BAS 00533995 is 399.06 g/mol.
Where can I buy BAS 00533995?
You can request a quote for BAS 00533995 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00533995?
Yes, KEHONG BIO provides custom synthesis services for BAS 00533995 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.