ChemDiv1_023886
TL;DR: ChemDiv1_023886 (CAS 351224-89-0) 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-(1-butanoyl-2,2,7-trimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
Also Known As: ChemDiv1_023886, AJ-292/13095230, diethyl 2-(1-butanoyl-2,2,7-trimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate, diethyl 2-(1-butyryl-2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, 4,5-DIETHYL 2-(1-BUTANOYL-2,2,7-TRIMETHYL-3-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE)-2H-1,3-DITHIOLE-4,5-DICARBOXYLATE
| Molecular Formula | C25H29NO5S3 |
|---|---|
| Molecular Weight | 519.12 g/mol |
| LogP | 5.77662 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 519.1208 |
| Heavy Atoms | 34 |
| Complexity | 1087.548 |
Chemical Identifiers
| CAS Number | 351224-89-0 |
|---|---|
| SMILES | CCCC(=O)N1C2=C(C=CC(=C2)C)C(=C3SC(=C(S3)C(=O)OCC)C(=O)OCC)C(=S)C1(C)C |
Product Overview
ChemDiv1_023886 (CAS 351224-89-0), with molecular formula C25H29NO5S3 and molecular weight 519.12 g/mol. IUPAC: diethyl 2-(1-butanoyl-2,2,7-trimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of ChemDiv1_023886
Property Insights of ChemDiv1_023886
The XLogP value of 5.77662 indicates that ChemDiv1_023886 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_023886. Following Lipinski's Rule of Five, ChemDiv1_023886 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_023886?
The CAS number of ChemDiv1_023886 is 351224-89-0.
What is the molecular formula of ChemDiv1_023886?
The molecular formula of ChemDiv1_023886 is C25H29NO5S3.
What is the molecular weight of ChemDiv1_023886?
The molecular weight of ChemDiv1_023886 is 519.12 g/mol.
Where can I buy ChemDiv1_023886?
You can request a quote for ChemDiv1_023886 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023886?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023886 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.