ChemDiv1_022543
TL;DR: ChemDiv1_022543 (CAS 331760-87-3) is a chemical compound with molecular formula C25H20ClNO5S3 and molecular weight 545.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[1-(2-chlorobenzoyl)-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Also Known As: ChemDiv1_022543, DivK1c_003807, CDS1_002767, BAS 00584566, dimethyl 2-[1-(2-chlorobenzoyl)-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C25H20ClNO5S3 |
|---|---|
| Molecular Weight | 545.02 g/mol |
| LogP | 5.8551 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 545.0192 |
| Heavy Atoms | 35 |
| Complexity | 1318.1176 |
Chemical Identifiers
| CAS Number | 331760-87-3 |
|---|---|
| SMILES | CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=CC=CC=C3N1C(=O)C4=CC=CC=C4Cl)C |
Product Overview
ChemDiv1_022543 (CAS 331760-87-3), with molecular formula C25H20ClNO5S3 and molecular weight 545.02 g/mol. IUPAC: dimethyl 2-[1-(2-chlorobenzoyl)-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of ChemDiv1_022543
Property Insights of ChemDiv1_022543
The XLogP value of 5.8551 indicates that ChemDiv1_022543 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_022543. Following Lipinski's Rule of Five, ChemDiv1_022543 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_022543?
The CAS number of ChemDiv1_022543 is 331760-87-3.
What is the molecular formula of ChemDiv1_022543?
The molecular formula of ChemDiv1_022543 is C25H20ClNO5S3.
What is the molecular weight of ChemDiv1_022543?
The molecular weight of ChemDiv1_022543 is 545.02 g/mol.
Where can I buy ChemDiv1_022543?
You can request a quote for ChemDiv1_022543 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022543?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022543 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.