ChemDiv1_023930
TL;DR: ChemDiv1_023930 (CAS 351224-90-3) is a chemical compound with molecular formula C26H31NO5S3 and molecular weight 533.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[2,2,7-trimethyl-1-(3-methylbutanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Also Known As: ChemDiv1_023930, diethyl 2-[2,2,7-trimethyl-1-(3-methylbutanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate, AJ-292/13095231, 4,5-DIETHYL 2-[2,2,7-TRIMETHYL-1-(3-METHYLBUTANOYL)-3-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE]-2H-1,3-DITHIOLE-4,5-DICARBOXYLATE, diethyl 2-(2,2,7-trimethyl-1-(3-methylbutanoyl)-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C26H31NO5S3 |
|---|---|
| Molecular Weight | 533.14 g/mol |
| LogP | 6.02262 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 533.1364 |
| Heavy Atoms | 35 |
| Complexity | 1117.6414 |
Chemical Identifiers
| CAS Number | 351224-90-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C2C3=C(C=C(C=C3)C)N(C(C2=S)(C)C)C(=O)CC(C)C)S1)C(=O)OCC |
Product Overview
ChemDiv1_023930 (CAS 351224-90-3), with molecular formula C26H31NO5S3 and molecular weight 533.14 g/mol. IUPAC: diethyl 2-[2,2,7-trimethyl-1-(3-methylbutanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of ChemDiv1_023930
Property Insights of ChemDiv1_023930
The XLogP value of 6.02262 indicates that ChemDiv1_023930 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 ChemDiv1_023930. Following Lipinski's Rule of Five, ChemDiv1_023930 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 ChemDiv1_023930?
The CAS number of ChemDiv1_023930 is 351224-90-3.
What is the molecular formula of ChemDiv1_023930?
The molecular formula of ChemDiv1_023930 is C26H31NO5S3.
What is the molecular weight of ChemDiv1_023930?
The molecular weight of ChemDiv1_023930 is 533.14 g/mol.
Where can I buy ChemDiv1_023930?
You can request a quote for ChemDiv1_023930 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023930?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023930 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.