BAS 00126866
TL;DR: BAS 00126866 (CAS 258267-16-2) is a chemical compound with molecular formula C25H21NO5S3 and molecular weight 511.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(1-benzoyl-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
Also Known As: BAS 00126866, dimethyl 2-(1-benzoyl-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-(1-benzoyl-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-(1-benzoyl-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-[2,2-dimethyl-1-(phenylcarbonyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C25H21NO5S3 |
|---|---|
| Molecular Weight | 511.06 g/mol |
| LogP | 5.2017 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 511.0582 |
| Heavy Atoms | 34 |
| Complexity | 1250.4662 |
Chemical Identifiers
| CAS Number | 258267-16-2 |
|---|---|
| SMILES | CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=CC=CC=C3N1C(=O)C4=CC=CC=C4)C |
Product Overview
BAS 00126866 (CAS 258267-16-2), with molecular formula C25H21NO5S3 and molecular weight 511.06 g/mol. IUPAC: dimethyl 2-(1-benzoyl-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of BAS 00126866
Property Insights of BAS 00126866
The XLogP value of 5.2017 indicates that BAS 00126866 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 00126866. Following Lipinski's Rule of Five, BAS 00126866 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 00126866?
The CAS number of BAS 00126866 is 258267-16-2.
What is the molecular formula of BAS 00126866?
The molecular formula of BAS 00126866 is C25H21NO5S3.
What is the molecular weight of BAS 00126866?
The molecular weight of BAS 00126866 is 511.06 g/mol.
Where can I buy BAS 00126866?
You can request a quote for BAS 00126866 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00126866?
Yes, KEHONG BIO provides custom synthesis services for BAS 00126866 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.