AJ-292/13093032
TL;DR: AJ-292/13093032 (CAS 352657-89-7) is a chemical compound with molecular formula C23H22F3NO6S3 and molecular weight 561.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[6-methoxy-2,2-dimethyl-3-sulfanylidene-1-(2,2,2-trifluoroacetyl)quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Also Known As: AJ-292/13093032, diethyl 2-(6-methoxy-2,2-dimethyl-3-thioxo-1-(trifluoroacetyl)-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate, diethyl 2-[6-methoxy-2,2-dimethyl-3-sulfanylidene-1-(2,2,2-trifluoroacetyl)quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate, diethyl 2-(6-methoxy-2,2-dimethyl-3-thioxo-1-(2,2,2-trifluoroacetyl)-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, diethyl 2-[6-methoxy-2,2-dimethyl-3-thioxo-1-(trifluoroacetyl)-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C23H22F3NO6S3 |
|---|---|
| Molecular Weight | 561.06 g/mol |
| LogP | 5.239 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 561.05615 |
| Heavy Atoms | 36 |
| Complexity | 1173.9648 |
Chemical Identifiers
| CAS Number | 352657-89-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C2C3=C(C=CC(=C3)OC)N(C(C2=S)(C)C)C(=O)C(F)(F)F)S1)C(=O)OCC |
Product Overview
AJ-292/13093032 (CAS 352657-89-7), with molecular formula C23H22F3NO6S3 and molecular weight 561.06 g/mol. IUPAC: diethyl 2-[6-methoxy-2,2-dimethyl-3-sulfanylidene-1-(2,2,2-trifluoroacetyl)quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of AJ-292/13093032
Property Insights of AJ-292/13093032
The XLogP value of 5.239 indicates that AJ-292/13093032 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-292/13093032. Following Lipinski's Rule of Five, AJ-292/13093032 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-292/13093032?
The CAS number of AJ-292/13093032 is 352657-89-7.
What is the molecular formula of AJ-292/13093032?
The molecular formula of AJ-292/13093032 is C23H22F3NO6S3.
What is the molecular weight of AJ-292/13093032?
The molecular weight of AJ-292/13093032 is 561.06 g/mol.
Where can I buy AJ-292/13093032?
You can request a quote for AJ-292/13093032 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/13093032?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/13093032 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.