ChemDiv1_022693
TL;DR: ChemDiv1_022693 (CAS 351224-76-5) is a chemical compound with molecular formula C25H29NO5S3 and molecular weight 519.12 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-(2-methylpropanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Also Known As: ChemDiv1_022693, DivK1c_003957, CDS1_002917, AJ-292/13095204, diethyl 2-[2,2,7-trimethyl-1-(2-methylpropanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C25H29NO5S3 |
|---|---|
| Molecular Weight | 519.12 g/mol |
| LogP | 5.63252 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 519.1208 |
| Heavy Atoms | 34 |
| Complexity | 1101.3604 |
Chemical Identifiers
| CAS Number | 351224-76-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C2C3=C(C=C(C=C3)C)N(C(C2=S)(C)C)C(=O)C(C)C)S1)C(=O)OCC |
Product Overview
ChemDiv1_022693 (CAS 351224-76-5), with molecular formula C25H29NO5S3 and molecular weight 519.12 g/mol. IUPAC: diethyl 2-[2,2,7-trimethyl-1-(2-methylpropanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of ChemDiv1_022693
Property Insights of ChemDiv1_022693
The XLogP value of 5.63252 indicates that ChemDiv1_022693 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_022693. Following Lipinski's Rule of Five, ChemDiv1_022693 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_022693?
The CAS number of ChemDiv1_022693 is 351224-76-5.
What is the molecular formula of ChemDiv1_022693?
The molecular formula of ChemDiv1_022693 is C25H29NO5S3.
What is the molecular weight of ChemDiv1_022693?
The molecular weight of ChemDiv1_022693 is 519.12 g/mol.
Where can I buy ChemDiv1_022693?
You can request a quote for ChemDiv1_022693 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022693?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022693 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.