BAS 00268276
TL;DR: BAS 00268276 (CAS 5302-56-7) is a chemical compound with molecular formula C28H26FNO5S3 and molecular weight 571.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[1-(3-fluorobenzoyl)-2,2,8-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Also Known As: BAS 00268276, diethyl 2-[1-(3-fluorobenzoyl)-2,2,8-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate, diethyl 2-(1-[(3-fluorophenyl)carbonyl]-2,2,8-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, Diethyl 2-[1-(3-fluorobenzoyl)-2,2,8-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate, DIETHYL 2-[1-(3-FLUOROBENZOYL)-2,2,8-TRIMETHYL-3-THIOXO-2,3-DIHYDRO-4(1H)-QUINOLINYLIDEN]-1,3-DITHIOLE-4,5-DICARBOXYLATE
| Molecular Formula | C28H26FNO5S3 |
|---|---|
| Molecular Weight | 571.10 g/mol |
| LogP | 6.42942 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 571.0957 |
| Heavy Atoms | 38 |
| Complexity | 1397.3175 |
Chemical Identifiers
| CAS Number | 5302-56-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C2C3=CC=CC(=C3N(C(C2=S)(C)C)C(=O)C4=CC(=CC=C4)F)C)S1)C(=O)OCC |
Product Overview
BAS 00268276 (CAS 5302-56-7), with molecular formula C28H26FNO5S3 and molecular weight 571.10 g/mol. IUPAC: diethyl 2-[1-(3-fluorobenzoyl)-2,2,8-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of BAS 00268276
Property Insights of BAS 00268276
The XLogP value of 6.42942 indicates that BAS 00268276 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00268276. Following Lipinski's Rule of Five, BAS 00268276 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 00268276?
The CAS number of BAS 00268276 is 5302-56-7.
What is the molecular formula of BAS 00268276?
The molecular formula of BAS 00268276 is C28H26FNO5S3.
What is the molecular weight of BAS 00268276?
The molecular weight of BAS 00268276 is 571.10 g/mol.
Where can I buy BAS 00268276?
You can request a quote for BAS 00268276 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00268276?
Yes, KEHONG BIO provides custom synthesis services for BAS 00268276 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.