ChemDiv1_027863
TL;DR: ChemDiv1_027863 (CAS 309291-47-2) is a chemical compound with molecular formula C25H29NO6S3 and molecular weight 535.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[6-ethoxy-2,2-dimethyl-1-(2-methylbutanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Also Known As: ChemDiv1_027863, dimethyl 2-[6-ethoxy-2,2-dimethyl-1-(2-methylbutanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate, A2170/0091175, 4,5-DIMETHYL 2-[6-ETHOXY-2,2-DIMETHYL-1-(2-METHYLBUTANOYL)-3-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE]-2H-1,3-DITHIOLE-4,5-DICARBOXYLATE, dimethyl 2-(6-ethoxy-2,2-dimethyl-1-(2-methylbutanoyl)-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C25H29NO6S3 |
|---|---|
| Molecular Weight | 535.12 g/mol |
| LogP | 5.3327 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 535.1157 |
| Heavy Atoms | 35 |
| Complexity | 1123.8563 |
Chemical Identifiers
| CAS Number | 309291-47-2 |
|---|---|
| SMILES | CCC(C)C(=O)N1C2=C(C=C(C=C2)OCC)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C1(C)C |
Product Overview
ChemDiv1_027863 (CAS 309291-47-2), with molecular formula C25H29NO6S3 and molecular weight 535.12 g/mol. IUPAC: dimethyl 2-[6-ethoxy-2,2-dimethyl-1-(2-methylbutanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of ChemDiv1_027863
Property Insights of ChemDiv1_027863
The XLogP value of 5.3327 indicates that ChemDiv1_027863 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_027863. Following Lipinski's Rule of Five, ChemDiv1_027863 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_027863?
The CAS number of ChemDiv1_027863 is 309291-47-2.
What is the molecular formula of ChemDiv1_027863?
The molecular formula of ChemDiv1_027863 is C25H29NO6S3.
What is the molecular weight of ChemDiv1_027863?
The molecular weight of ChemDiv1_027863 is 535.12 g/mol.
Where can I buy ChemDiv1_027863?
You can request a quote for ChemDiv1_027863 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_027863?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_027863 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.