ChemDiv1_022672
TL;DR: ChemDiv1_022672 (CAS 331640-30-3) is a chemical compound with molecular formula C23H22F3NO5S3 and molecular weight 545.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[2,2,7-trimethyl-3-sulfanylidene-1-(2,2,2-trifluoroacetyl)quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Also Known As: ChemDiv1_022672, DivK1c_003936, CDS1_002896, BAS 00757528, diethyl 2-[2,2,7-trimethyl-3-sulfanylidene-1-(2,2,2-trifluoroacetyl)quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C23H22F3NO5S3 |
|---|---|
| Molecular Weight | 545.06 g/mol |
| LogP | 5.53882 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 545.0612 |
| Heavy Atoms | 35 |
| Complexity | 1155.3323 |
Chemical Identifiers
| CAS Number | 331640-30-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C2C3=C(C=C(C=C3)C)N(C(C2=S)(C)C)C(=O)C(F)(F)F)S1)C(=O)OCC |
Product Overview
ChemDiv1_022672 (CAS 331640-30-3), with molecular formula C23H22F3NO5S3 and molecular weight 545.06 g/mol. IUPAC: diethyl 2-[2,2,7-trimethyl-3-sulfanylidene-1-(2,2,2-trifluoroacetyl)quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of ChemDiv1_022672
Property Insights of ChemDiv1_022672
The XLogP value of 5.53882 indicates that ChemDiv1_022672 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_022672. Following Lipinski's Rule of Five, ChemDiv1_022672 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_022672?
The CAS number of ChemDiv1_022672 is 331640-30-3.
What is the molecular formula of ChemDiv1_022672?
The molecular formula of ChemDiv1_022672 is C23H22F3NO5S3.
What is the molecular weight of ChemDiv1_022672?
The molecular weight of ChemDiv1_022672 is 545.06 g/mol.
Where can I buy ChemDiv1_022672?
You can request a quote for ChemDiv1_022672 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022672?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022672 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.