BAS 00682858
TL;DR: BAS 00682858 (CAS 301229-50-5) is a chemical compound with molecular formula C19H15ClN2O4S2 and molecular weight 434.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[(5E)-5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
Also Known As: BAS 00682858, (E)-2-chloro-N-(5-(2,5-dimethoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzamide, 2-chloro-N-[(5E)-5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
| Molecular Formula | C19H15ClN2O4S2 |
|---|---|
| Molecular Weight | 434.02 g/mol |
| LogP | 3.9034 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.01617 |
| Heavy Atoms | 28 |
| Complexity | 993.649 |
Chemical Identifiers
| CAS Number | 301229-50-5 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)/C=C/2\C(=O)N(C(=S)S2)NC(=O)C3=CC=CC=C3Cl |
Product Overview
BAS 00682858 (CAS 301229-50-5), with molecular formula C19H15ClN2O4S2 and molecular weight 434.02 g/mol. IUPAC: 2-chloro-N-[(5E)-5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide.
Chemical Property Profile of BAS 00682858
Property Insights of BAS 00682858
The XLogP value of 3.9034 indicates that BAS 00682858 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00682858. Following Lipinski's Rule of Five, BAS 00682858 has 1 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 00682858?
The CAS number of BAS 00682858 is 301229-50-5.
What is the molecular formula of BAS 00682858?
The molecular formula of BAS 00682858 is C19H15ClN2O4S2.
What is the molecular weight of BAS 00682858?
The molecular weight of BAS 00682858 is 434.02 g/mol.
Where can I buy BAS 00682858?
You can request a quote for BAS 00682858 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00682858?
Yes, KEHONG BIO provides custom synthesis services for BAS 00682858 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.