ChemDiv1_025722
TL;DR: ChemDiv1_025722 (CAS 309265-52-9) is a chemical compound with molecular formula C23H23NO5S3 and molecular weight 489.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(2,2,6,7-tetramethyl-1-prop-2-enoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
Also Known As: ChemDiv1_025722, BAS 00757454, A2053/0086327, dimethyl 2-(1-acryloyl-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, 4,5-DIMETHYL 2-[2,2,6,7-TETRAMETHYL-1-(PROP-2-ENOYL)-3-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE]-2H-1,3-DITHIOLE-4,5-DICARBOXYLATE
| Molecular Formula | C23H23NO5S3 |
|---|---|
| Molecular Weight | 489.07 g/mol |
| LogP | 4.69074 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 489.07382 |
| Heavy Atoms | 32 |
| Complexity | 1116.5311 |
Chemical Identifiers
| CAS Number | 309265-52-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C=C |
Product Overview
ChemDiv1_025722 (CAS 309265-52-9), with molecular formula C23H23NO5S3 and molecular weight 489.07 g/mol. IUPAC: dimethyl 2-(2,2,6,7-tetramethyl-1-prop-2-enoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of ChemDiv1_025722
Property Insights of ChemDiv1_025722
The XLogP value of 4.69074 indicates that ChemDiv1_025722 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_025722. Following Lipinski's Rule of Five, ChemDiv1_025722 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_025722?
The CAS number of ChemDiv1_025722 is 309265-52-9.
What is the molecular formula of ChemDiv1_025722?
The molecular formula of ChemDiv1_025722 is C23H23NO5S3.
What is the molecular weight of ChemDiv1_025722?
The molecular weight of ChemDiv1_025722 is 489.07 g/mol.
Where can I buy ChemDiv1_025722?
You can request a quote for ChemDiv1_025722 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_025722?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_025722 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.