AJ-292/13095218
TL;DR: AJ-292/13095218 (CAS 364337-49-5) is a chemical compound with molecular formula C27H25NO5S3 and molecular weight 539.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(1-benzoyl-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
Also Known As: AJ-292/13095218, diethyl 2-(1-benzoyl-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate, 4,5-DIETHYL 2-(1-BENZOYL-2,2-DIMETHYL-3-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE)-2H-1,3-DITHIOLE-4,5-DICARBOXYLATE, 4,5-DIETHYL 2-(1-BENZOYL-2,2-DIMETHYL-3-SULFANYLIDENEQUINOLIN-4-YLIDENE)-1,3-DITHIOLE-4,5-DICARBOXYLATE, diethyl 2-(1-benzoyl-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C27H25NO5S3 |
|---|---|
| Molecular Weight | 539.09 g/mol |
| LogP | 5.9819 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 539.0895 |
| Heavy Atoms | 36 |
| Complexity | 1281.699 |
Chemical Identifiers
| CAS Number | 364337-49-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C2C3=CC=CC=C3N(C(C2=S)(C)C)C(=O)C4=CC=CC=C4)S1)C(=O)OCC |
Product Overview
AJ-292/13095218 (CAS 364337-49-5), with molecular formula C27H25NO5S3 and molecular weight 539.09 g/mol. IUPAC: diethyl 2-(1-benzoyl-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of AJ-292/13095218
Property Insights of AJ-292/13095218
The XLogP value of 5.9819 indicates that AJ-292/13095218 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 AJ-292/13095218. Following Lipinski's Rule of Five, AJ-292/13095218 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 AJ-292/13095218?
The CAS number of AJ-292/13095218 is 364337-49-5.
What is the molecular formula of AJ-292/13095218?
The molecular formula of AJ-292/13095218 is C27H25NO5S3.
What is the molecular weight of AJ-292/13095218?
The molecular weight of AJ-292/13095218 is 539.09 g/mol.
Where can I buy AJ-292/13095218?
You can request a quote for AJ-292/13095218 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/13095218?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/13095218 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.