BAS 00682841
TL;DR: BAS 00682841 (CAS 1198159-46-4) is a chemical compound with molecular formula C18H14ClNO3S2 and molecular weight 391.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-(3-chlorophenyl)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00682841, VU0025718-2, (Z)-3-(3-chlorophenyl)-5-(3-ethoxy-4-hydroxybenzylidene)-2-thioxothiazolidin-4-one, (5Z)-3-(3-chlorophenyl)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, F0393-0721
| Molecular Formula | C18H14ClNO3S2 |
|---|---|
| Molecular Weight | 391.01 g/mol |
| LogP | 4.8501 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.01038 |
| Heavy Atoms | 25 |
| Complexity | 882.37494 |
Chemical Identifiers
| CAS Number | 1198159-46-4 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)C3=CC(=CC=C3)Cl)O |
Product Overview
BAS 00682841 (CAS 1198159-46-4), with molecular formula C18H14ClNO3S2 and molecular weight 391.01 g/mol. IUPAC: (5Z)-3-(3-chlorophenyl)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 00682841
Property Insights of BAS 00682841
The XLogP value of 4.8501 indicates that BAS 00682841 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 00682841 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00682841 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 00682841?
The CAS number of BAS 00682841 is 1198159-46-4.
What is the molecular formula of BAS 00682841?
The molecular formula of BAS 00682841 is C18H14ClNO3S2.
What is the molecular weight of BAS 00682841?
The molecular weight of BAS 00682841 is 391.01 g/mol.
Where can I buy BAS 00682841?
You can request a quote for BAS 00682841 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00682841?
Yes, KEHONG BIO provides custom synthesis services for BAS 00682841 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.