BAS 00682846
TL;DR: BAS 00682846 (CAS 301229-46-9) is a chemical compound with molecular formula C19H16N2O4S2 and molecular weight 400.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
Also Known As: BAS 00682846, AB00090843-01, N-[(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide, (Z)-N-(5-(3-ethoxy-4-hydroxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzamide, N-[(5Z)-5-(3-ethoxy-4-hydroxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzamide
| Molecular Formula | C19H16N2O4S2 |
|---|---|
| Molecular Weight | 400.06 g/mol |
| LogP | 3.3371 |
| Topological Polar Surface Area | 78.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.05515 |
| Heavy Atoms | 27 |
| Complexity | 928.5618 |
Chemical Identifiers
| CAS Number | 301229-46-9 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=CC=C3)O |
Product Overview
BAS 00682846 (CAS 301229-46-9), with molecular formula C19H16N2O4S2 and molecular weight 400.06 g/mol. IUPAC: N-[(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide.
Chemical Property Profile of BAS 00682846
Property Insights of BAS 00682846
The XLogP value of 3.3371 indicates that BAS 00682846 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.87 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00682846. Following Lipinski's Rule of Five, BAS 00682846 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 00682846?
The CAS number of BAS 00682846 is 301229-46-9.
What is the molecular formula of BAS 00682846?
The molecular formula of BAS 00682846 is C19H16N2O4S2.
What is the molecular weight of BAS 00682846?
The molecular weight of BAS 00682846 is 400.06 g/mol.
Where can I buy BAS 00682846?
You can request a quote for BAS 00682846 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00682846?
Yes, KEHONG BIO provides custom synthesis services for BAS 00682846 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.