BAS 00681608
TL;DR: BAS 00681608 (CAS 1198160-06-3) is a chemical compound with molecular formula C18H14BrNO3S2 and molecular weight 434.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-(4-bromophenyl)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00681608, (5Z)-3-(4-bromophenyl)-5-(3-ethoxy-4-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one, (Z)-3-(4-bromophenyl)-5-(3-ethoxy-4-hydroxybenzylidene)-2-thioxothiazolidin-4-one, 3-(4-bromophenyl)-5-(3-ethoxy-4-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one, 3-(4-bromophenyl)-5-[(3-ethoxy-4-hydroxyphenyl)methylene]-2-thioxo-1,3-thiazol idin-4-one
| Molecular Formula | C18H14BrNO3S2 |
|---|---|
| Molecular Weight | 434.96 g/mol |
| LogP | 4.9592 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.95984 |
| Heavy Atoms | 25 |
| Complexity | 865.12494 |
Chemical Identifiers
| CAS Number | 1198160-06-3 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)C3=CC=C(C=C3)Br)O |
Product Overview
BAS 00681608 (CAS 1198160-06-3), with molecular formula C18H14BrNO3S2 and molecular weight 434.96 g/mol. IUPAC: (5Z)-3-(4-bromophenyl)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 00681608
Property Insights of BAS 00681608
The XLogP value of 4.9592 indicates that BAS 00681608 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 00681608 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00681608 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 00681608?
The CAS number of BAS 00681608 is 1198160-06-3.
What is the molecular formula of BAS 00681608?
The molecular formula of BAS 00681608 is C18H14BrNO3S2.
What is the molecular weight of BAS 00681608?
The molecular weight of BAS 00681608 is 434.96 g/mol.
Where can I buy BAS 00681608?
You can request a quote for BAS 00681608 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00681608?
Yes, KEHONG BIO provides custom synthesis services for BAS 00681608 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.