AJ-292/13095223
TL;DR: AJ-292/13095223 (CAS 5848-17-9) is a chemical compound with molecular formula C27H33NO6S3 and molecular weight 563.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(6-ethoxy-2,2-dimethyl-1-pentanoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
Also Known As: AJ-292/13095223, diethyl 2-(6-ethoxy-2,2-dimethyl-1-pentanoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate, diethyl 2-(6-ethoxy-2,2-dimethyl-1-pentanoyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, Diethyl 2-(6-ethoxy-2,2-dimethyl-1-pentanoyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate, diethyl 2-(6-ethoxy-2,2-dimethyl-1-pentanoyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C27H33NO6S3 |
|---|---|
| Molecular Weight | 563.15 g/mol |
| LogP | 6.257 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 563.147 |
| Heavy Atoms | 37 |
| Complexity | 1138.6727 |
Chemical Identifiers
| CAS Number | 5848-17-9 |
|---|---|
| SMILES | CCCCC(=O)N1C2=C(C=C(C=C2)OCC)C(=C3SC(=C(S3)C(=O)OCC)C(=O)OCC)C(=S)C1(C)C |
Product Overview
AJ-292/13095223 (CAS 5848-17-9), with molecular formula C27H33NO6S3 and molecular weight 563.15 g/mol. IUPAC: diethyl 2-(6-ethoxy-2,2-dimethyl-1-pentanoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of AJ-292/13095223
Property Insights of AJ-292/13095223
The XLogP value of 6.257 indicates that AJ-292/13095223 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for AJ-292/13095223. Following Lipinski's Rule of Five, AJ-292/13095223 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AJ-292/13095223?
The CAS number of AJ-292/13095223 is 5848-17-9.
What is the molecular formula of AJ-292/13095223?
The molecular formula of AJ-292/13095223 is C27H33NO6S3.
What is the molecular weight of AJ-292/13095223?
The molecular weight of AJ-292/13095223 is 563.15 g/mol.
Where can I buy AJ-292/13095223?
You can request a quote for AJ-292/13095223 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/13095223?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/13095223 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.