A2859/0120542
TL;DR: A2859/0120542 (CAS 443676-80-0) is a chemical compound with molecular formula C25H23NO5S4 and molecular weight 545.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[2,2,6-trimethyl-3-sulfanylidene-1-(2-thiophen-2-ylacetyl)quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Also Known As: A2859/0120542, dimethyl 2-[2,2,6-trimethyl-1-(thiophen-2-ylacetyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate, 4,5-DIMETHYL 2-{2,2,6-TRIMETHYL-3-SULFANYLIDENE-1-[2-(THIOPHEN-2-YL)ACETYL]-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE}-2H-1,3-DITHIOLE-4,5-DICARBOXYLATE, dimethyl 2-(2,2,6-trimethyl-1-(2-(thiophen-2-yl)acetyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-[2,2,6-trimethyl-3-sulfanylidene-1-(2-thiophen-2-ylacetyl)quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C25H23NO5S4 |
|---|---|
| Molecular Weight | 545.05 g/mol |
| LogP | 5.50052 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 545.0459 |
| Heavy Atoms | 35 |
| Complexity | 1277.1144 |
Chemical Identifiers
| CAS Number | 443676-80-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)CC4=CC=CS4 |
Product Overview
A2859/0120542 (CAS 443676-80-0), with molecular formula C25H23NO5S4 and molecular weight 545.05 g/mol. IUPAC: dimethyl 2-[2,2,6-trimethyl-3-sulfanylidene-1-(2-thiophen-2-ylacetyl)quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of A2859/0120542
Property Insights of A2859/0120542
The XLogP value of 5.50052 indicates that A2859/0120542 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 A2859/0120542. Following Lipinski's Rule of Five, A2859/0120542 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 A2859/0120542?
The CAS number of A2859/0120542 is 443676-80-0.
What is the molecular formula of A2859/0120542?
The molecular formula of A2859/0120542 is C25H23NO5S4.
What is the molecular weight of A2859/0120542?
The molecular weight of A2859/0120542 is 545.05 g/mol.
Where can I buy A2859/0120542?
You can request a quote for A2859/0120542 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2859/0120542?
Yes, KEHONG BIO provides custom synthesis services for A2859/0120542 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.