ChemDiv1_022624
TL;DR: ChemDiv1_022624 (CAS 328069-89-2) is a chemical compound with molecular formula C26H23NO5S3 and molecular weight 525.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[2,2-dimethyl-1-(3-methylbenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Also Known As: ChemDiv1_022624, DivK1c_003888, CDS1_002848, BAS 00721857, dimethyl 2-[2,2-dimethyl-1-(3-methylbenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C26H23NO5S3 |
|---|---|
| Molecular Weight | 525.07 g/mol |
| LogP | 5.51012 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 525.07385 |
| Heavy Atoms | 35 |
| Complexity | 1312.0026 |
Chemical Identifiers
| CAS Number | 328069-89-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)N2C3=CC=CC=C3C(=C4SC(=C(S4)C(=O)OC)C(=O)OC)C(=S)C2(C)C |
Product Overview
ChemDiv1_022624 (CAS 328069-89-2), with molecular formula C26H23NO5S3 and molecular weight 525.07 g/mol. IUPAC: dimethyl 2-[2,2-dimethyl-1-(3-methylbenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of ChemDiv1_022624
Property Insights of ChemDiv1_022624
The XLogP value of 5.51012 indicates that ChemDiv1_022624 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_022624. Following Lipinski's Rule of Five, ChemDiv1_022624 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_022624?
The CAS number of ChemDiv1_022624 is 328069-89-2.
What is the molecular formula of ChemDiv1_022624?
The molecular formula of ChemDiv1_022624 is C26H23NO5S3.
What is the molecular weight of ChemDiv1_022624?
The molecular weight of ChemDiv1_022624 is 525.07 g/mol.
Where can I buy ChemDiv1_022624?
You can request a quote for ChemDiv1_022624 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022624?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022624 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.