BAS 00225078
TL;DR: BAS 00225078 (CAS 296272-66-7) is a chemical compound with molecular formula C22H25NO4S3 and molecular weight 463.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(1,2,2,6-tetramethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
Also Known As: BAS 00225078, diethyl 2-(1,2,2,6-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, diethyl 2-(1,2,2,6-tetramethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate, 2-(1,2,2,6-Tetramethyl-3-thioxo-2,3-dihydro-1H-quinolin-4-ylidene)-[1,3]dithiole, ethyl 5-(ethoxycarbonyl)-2-(1,2,2,6-tetramethyl-3-thioxo(4-1,2-dihydroquinolyl idene))-1,3-dithiolene-4-carboxylate
| Molecular Formula | C22H25NO4S3 |
|---|---|
| Molecular Weight | 463.09 g/mol |
| LogP | 5.07972 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 463.09457 |
| Heavy Atoms | 30 |
| Complexity | 962.0968 |
Chemical Identifiers
| CAS Number | 296272-66-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C2C3=C(C=CC(=C3)C)N(C(C2=S)(C)C)C)S1)C(=O)OCC |
Product Overview
BAS 00225078 (CAS 296272-66-7), with molecular formula C22H25NO4S3 and molecular weight 463.09 g/mol. IUPAC: diethyl 2-(1,2,2,6-tetramethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of BAS 00225078
Property Insights of BAS 00225078
The XLogP value of 5.07972 indicates that BAS 00225078 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, BAS 00225078 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00225078 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00225078?
The CAS number of BAS 00225078 is 296272-66-7.
What is the molecular formula of BAS 00225078?
The molecular formula of BAS 00225078 is C22H25NO4S3.
What is the molecular weight of BAS 00225078?
The molecular weight of BAS 00225078 is 463.09 g/mol.
Where can I buy BAS 00225078?
You can request a quote for BAS 00225078 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00225078?
Yes, KEHONG BIO provides custom synthesis services for BAS 00225078 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.