BAS 00682842
TL;DR: BAS 00682842 (CAS 301229-45-8) is a chemical compound with molecular formula C19H17NO3S2 and molecular weight 371.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00682842, (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one, VU0025655-2, (Z)-5-(3-ethoxy-4-hydroxybenzylidene)-2-thioxo-3-(o-tolyl)thiazolidin-4-one, AB00090735-01
| Molecular Formula | C19H17NO3S2 |
|---|---|
| Molecular Weight | 371.06 g/mol |
| LogP | 4.50512 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.06497 |
| Heavy Atoms | 25 |
| Complexity | 876.72296 |
Chemical Identifiers
| CAS Number | 301229-45-8 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)C3=CC=CC=C3C)O |
Product Overview
BAS 00682842 (CAS 301229-45-8), with molecular formula C19H17NO3S2 and molecular weight 371.06 g/mol. IUPAC: (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 00682842
Property Insights of BAS 00682842
The XLogP value of 4.50512 indicates that BAS 00682842 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.77 Ų, BAS 00682842 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00682842 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 00682842?
The CAS number of BAS 00682842 is 301229-45-8.
What is the molecular formula of BAS 00682842?
The molecular formula of BAS 00682842 is C19H17NO3S2.
What is the molecular weight of BAS 00682842?
The molecular weight of BAS 00682842 is 371.06 g/mol.
Where can I buy BAS 00682842?
You can request a quote for BAS 00682842 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00682842?
Yes, KEHONG BIO provides custom synthesis services for BAS 00682842 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.