BAS 00268274
TL;DR: BAS 00268274 (CAS 330561-03-0) is a chemical compound with molecular formula C27H24FNO5S3 and molecular weight 557.08 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-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Also Known As: BAS 00268274, diethyl 2-(1-(3-fluorobenzoyl)-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate, diethyl 2-[1-(3-fluorobenzoyl)-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate, diethyl 2-(1-(3-fluorobenzoyl)-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, DIETHYL 2-[1-(3-FLUOROBENZOYL)-2,2-DIMETHYL-3-THIOXO-2,3-DIHYDRO-4(1H)-QUINOLINYLIDEN]-1,3-DITHIOLE-4,5-DICARBOXYLATE
| Molecular Formula | C27H24FNO5S3 |
|---|---|
| Molecular Weight | 557.08 g/mol |
| LogP | 6.121 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 557.0801 |
| Heavy Atoms | 37 |
| Complexity | 1349.6014 |
Chemical Identifiers
| CAS Number | 330561-03-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C2C3=CC=CC=C3N(C(C2=S)(C)C)C(=O)C4=CC(=CC=C4)F)S1)C(=O)OCC |
Product Overview
BAS 00268274 (CAS 330561-03-0), with molecular formula C27H24FNO5S3 and molecular weight 557.08 g/mol. IUPAC: diethyl 2-[1-(3-fluorobenzoyl)-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of BAS 00268274
Property Insights of BAS 00268274
The XLogP value of 6.121 indicates that BAS 00268274 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 00268274. Following Lipinski's Rule of Five, BAS 00268274 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 00268274?
The CAS number of BAS 00268274 is 330561-03-0.
What is the molecular formula of BAS 00268274?
The molecular formula of BAS 00268274 is C27H24FNO5S3.
What is the molecular weight of BAS 00268274?
The molecular weight of BAS 00268274 is 557.08 g/mol.
Where can I buy BAS 00268274?
You can request a quote for BAS 00268274 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00268274?
Yes, KEHONG BIO provides custom synthesis services for BAS 00268274 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.