BAS 00225091
TL;DR: BAS 00225091 (CAS 296272-69-0) is a chemical compound with molecular formula C20H21NO4S3 and molecular weight 435.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(2,2-dimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
Also Known As: BAS 00225091, diethyl 2-(2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate, diethyl 2-(2,2-dimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate, diethyl 2-(2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, DIETHYL 2-[2,2-DIMETHYL-3-THIOXO-2,3-DIHYDRO-4(1H)-QUINOLINYLIDEN]-1,3-DITHIOLE-4,5-DICARBOXYLATE
| Molecular Formula | C20H21NO4S3 |
|---|---|
| Molecular Weight | 435.06 g/mol |
| LogP | 4.747 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.06326 |
| Heavy Atoms | 28 |
| Complexity | 885.7808 |
Chemical Identifiers
| CAS Number | 296272-69-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C2C3=CC=CC=C3NC(C2=S)(C)C)S1)C(=O)OCC |
Product Overview
BAS 00225091 (CAS 296272-69-0), with molecular formula C20H21NO4S3 and molecular weight 435.06 g/mol. IUPAC: diethyl 2-(2,2-dimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of BAS 00225091
Property Insights of BAS 00225091
The XLogP value of 4.747 indicates that BAS 00225091 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00225091. Following Lipinski's Rule of Five, BAS 00225091 has 1 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 00225091?
The CAS number of BAS 00225091 is 296272-69-0.
What is the molecular formula of BAS 00225091?
The molecular formula of BAS 00225091 is C20H21NO4S3.
What is the molecular weight of BAS 00225091?
The molecular weight of BAS 00225091 is 435.06 g/mol.
Where can I buy BAS 00225091?
You can request a quote for BAS 00225091 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00225091?
Yes, KEHONG BIO provides custom synthesis services for BAS 00225091 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.