BAS 00225077
TL;DR: BAS 00225077 (CAS 296272-65-6) is a chemical compound with molecular formula C21H23NO4S3 and molecular weight 449.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(1,2,2-trimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
Also Known As: BAS 00225077, diethyl 2-(1,2,2-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate, diethyl 2-(1,2,2-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, ethyl 5-(ethoxycarbonyl)-2-(1,2,2-trimethyl-3-thioxo(4-1,2-dihydroquinolyliden e))-1,3-dithiolene-4-carboxylate, 4,5-DIETHYL 2-(1,2,2-TRIMETHYL-3-SULFANYLIDENEQUINOLIN-4-YLIDENE)-1,3-DITHIOLE-4,5-DICARBOXYLATE
| Molecular Formula | C21H23NO4S3 |
|---|---|
| Molecular Weight | 449.08 g/mol |
| LogP | 4.7713 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.07892 |
| Heavy Atoms | 29 |
| Complexity | 916.9995 |
Chemical Identifiers
| CAS Number | 296272-65-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C2C3=CC=CC=C3N(C(C2=S)(C)C)C)S1)C(=O)OCC |
Product Overview
BAS 00225077 (CAS 296272-65-6), with molecular formula C21H23NO4S3 and molecular weight 449.08 g/mol. IUPAC: diethyl 2-(1,2,2-trimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of BAS 00225077
Property Insights of BAS 00225077
The XLogP value of 4.7713 indicates that BAS 00225077 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 00225077 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00225077 has 0 hydrogen bond donor(s) and 8 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 00225077?
The CAS number of BAS 00225077 is 296272-65-6.
What is the molecular formula of BAS 00225077?
The molecular formula of BAS 00225077 is C21H23NO4S3.
What is the molecular weight of BAS 00225077?
The molecular weight of BAS 00225077 is 449.08 g/mol.
Where can I buy BAS 00225077?
You can request a quote for BAS 00225077 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00225077?
Yes, KEHONG BIO provides custom synthesis services for BAS 00225077 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.