AJ-292/13095224
TL;DR: AJ-292/13095224 (CAS 371940-46-4) 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-(3-methylbutanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Also Known As: AJ-292/13095224, diethyl 2-(6-ethoxy-2,2-dimethyl-1-(3-methylbutanoyl)-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate, diethyl 2-[6-ethoxy-2,2-dimethyl-1-(3-methylbutanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate, diethyl 2-(6-ethoxy-2,2-dimethyl-1-(3-methylbutanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, diethyl 2-[6-ethoxy-2,2-dimethyl-1-(3-methylbutanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C27H33NO6S3 |
|---|---|
| Molecular Weight | 563.15 g/mol |
| LogP | 6.1129 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 563.147 |
| Heavy Atoms | 37 |
| Complexity | 1152.5815 |
Chemical Identifiers
| CAS Number | 371940-46-4 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OCC)C(=O)OCC)(C)C)C(=O)CC(C)C |
Product Overview
AJ-292/13095224 (CAS 371940-46-4), with molecular formula C27H33NO6S3 and molecular weight 563.15 g/mol. IUPAC: diethyl 2-[6-ethoxy-2,2-dimethyl-1-(3-methylbutanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of AJ-292/13095224
Property Insights of AJ-292/13095224
The XLogP value of 6.1129 indicates that AJ-292/13095224 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-292/13095224. Following Lipinski's Rule of Five, AJ-292/13095224 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-292/13095224?
The CAS number of AJ-292/13095224 is 371940-46-4.
What is the molecular formula of AJ-292/13095224?
The molecular formula of AJ-292/13095224 is C27H33NO6S3.
What is the molecular weight of AJ-292/13095224?
The molecular weight of AJ-292/13095224 is 563.15 g/mol.
Where can I buy AJ-292/13095224?
You can request a quote for AJ-292/13095224 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/13095224?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/13095224 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.