ChemDiv1_021320
TL;DR: ChemDiv1_021320 (CAS 314039-75-3) is a chemical compound with molecular formula C22H20F3NO6S3 and molecular weight 547.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[7-ethoxy-2,2-dimethyl-3-sulfanylidene-1-(2,2,2-trifluoroacetyl)quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Also Known As: ChemDiv1_021320, AJ-292/13095201, dimethyl 2-[7-ethoxy-2,2-dimethyl-3-sulfanylidene-1-(2,2,2-trifluoroacetyl)quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate, 4,5-DIMETHYL 2-[7-ETHOXY-2,2-DIMETHYL-3-SULFANYLIDENE-1-(2,2,2-TRIFLUOROACETYL)-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE]-2H-1,3-DITHIOLE-4,5-DICARBOXYLATE, dimethyl 2-(7-ethoxy-2,2-dimethyl-3-thioxo-1-(2,2,2-trifluoroacetyl)-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C22H20F3NO6S3 |
|---|---|
| Molecular Weight | 547.04 g/mol |
| LogP | 4.8489 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 547.04047 |
| Heavy Atoms | 35 |
| Complexity | 1159.3666 |
Chemical Identifiers
| CAS Number | 314039-75-3 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)C(F)(F)F)(C)C |
Product Overview
ChemDiv1_021320 (CAS 314039-75-3), with molecular formula C22H20F3NO6S3 and molecular weight 547.04 g/mol. IUPAC: dimethyl 2-[7-ethoxy-2,2-dimethyl-3-sulfanylidene-1-(2,2,2-trifluoroacetyl)quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of ChemDiv1_021320
Property Insights of ChemDiv1_021320
The XLogP value of 4.8489 indicates that ChemDiv1_021320 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_021320. Following Lipinski's Rule of Five, ChemDiv1_021320 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_021320?
The CAS number of ChemDiv1_021320 is 314039-75-3.
What is the molecular formula of ChemDiv1_021320?
The molecular formula of ChemDiv1_021320 is C22H20F3NO6S3.
What is the molecular weight of ChemDiv1_021320?
The molecular weight of ChemDiv1_021320 is 547.04 g/mol.
Where can I buy ChemDiv1_021320?
You can request a quote for ChemDiv1_021320 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021320?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021320 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.