AJ-292/13095202
TL;DR: AJ-292/13095202 (CAS 351224-75-4) is a chemical compound with molecular formula C22H20F3NO5S3 and molecular weight 531.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[2,2,6,8-tetramethyl-3-sulfanylidene-1-(2,2,2-trifluoroacetyl)quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Also Known As: AJ-292/13095202, dimethyl 2-[2,2,6,8-tetramethyl-3-sulfanylidene-1-(2,2,2-trifluoroacetyl)quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-(2,2,6,8-tetramethyl-3-thioxo-1-(2,2,2-trifluoroacetyl)-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-(2,2,6,8-tetramethyl-3-thioxo-1-(trifluoroacetyl)-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-[2,2,6,8-tetramethyl-3-thioxo-1-(trifluoroacetyl)-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C22H20F3NO5S3 |
|---|---|
| Molecular Weight | 531.05 g/mol |
| LogP | 5.06704 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 531.0456 |
| Heavy Atoms | 34 |
| Complexity | 1170.9009 |
Chemical Identifiers
| CAS Number | 351224-75-4 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)C(F)(F)F)(C)C)C |
Product Overview
AJ-292/13095202 (CAS 351224-75-4), with molecular formula C22H20F3NO5S3 and molecular weight 531.05 g/mol. IUPAC: dimethyl 2-[2,2,6,8-tetramethyl-3-sulfanylidene-1-(2,2,2-trifluoroacetyl)quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of AJ-292/13095202
Property Insights of AJ-292/13095202
The XLogP value of 5.06704 indicates that AJ-292/13095202 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-292/13095202. Following Lipinski's Rule of Five, AJ-292/13095202 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-292/13095202?
The CAS number of AJ-292/13095202 is 351224-75-4.
What is the molecular formula of AJ-292/13095202?
The molecular formula of AJ-292/13095202 is C22H20F3NO5S3.
What is the molecular weight of AJ-292/13095202?
The molecular weight of AJ-292/13095202 is 531.05 g/mol.
Where can I buy AJ-292/13095202?
You can request a quote for AJ-292/13095202 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/13095202?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/13095202 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.