Dimethyl 2-(3-benzylimino-2,2,6-trimethyl-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
TL;DR: Dimethyl 2-(3-benzylimino-2,2,6-trimethyl-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate (CAS 306737-01-9) is a chemical compound with molecular formula C26H26N2O4S2 and molecular weight 494.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(3-benzylimino-2,2,6-trimethyl-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
Also Known As: Dimethyl 2-(3-benzylimino-2,2,6-trimethyl-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate, (Z)-dimethyl 2-(3-(benzylimino)-2,2,6-trimethyl-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-[(3Z)-3-(benzylimino)-2,2,6-trimethyl-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C26H26N2O4S2 |
|---|---|
| Molecular Weight | 494.13 g/mol |
| LogP | 5.54652 |
| Topological Polar Surface Area | 76.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 494.1334 |
| Heavy Atoms | 34 |
| Complexity | 1216.7019 |
Chemical Identifiers
| CAS Number | 306737-01-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC(C(=NCC3=CC=CC=C3)C2=C4SC(=C(S4)C(=O)OC)C(=O)OC)(C)C |
Product Overview
Dimethyl 2-(3-benzylimino-2,2,6-trimethyl-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate (CAS 306737-01-9), with molecular formula C26H26N2O4S2 and molecular weight 494.13 g/mol. IUPAC: dimethyl 2-(3-benzylimino-2,2,6-trimethyl-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of Dimethyl 2-(3-benzylimino-2,2,6-trimethyl-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
Property Insights of Dimethyl 2-(3-benzylimino-2,2,6-trimethyl-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
The XLogP value of 5.54652 indicates that Dimethyl 2-(3-benzylimino-2,2,6-trimethyl-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-(3-benzylimino-2,2,6-trimethyl-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 2-(3-benzylimino-2,2,6-trimethyl-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate has 1 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 Dimethyl 2-(3-benzylimino-2,2,6-trimethyl-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate?
The CAS number of Dimethyl 2-(3-benzylimino-2,2,6-trimethyl-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate is 306737-01-9.
What is the molecular formula of Dimethyl 2-(3-benzylimino-2,2,6-trimethyl-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate?
The molecular formula of Dimethyl 2-(3-benzylimino-2,2,6-trimethyl-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate is C26H26N2O4S2.
What is the molecular weight of Dimethyl 2-(3-benzylimino-2,2,6-trimethyl-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate?
The molecular weight of Dimethyl 2-(3-benzylimino-2,2,6-trimethyl-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate is 494.13 g/mol.
Where can I buy Dimethyl 2-(3-benzylimino-2,2,6-trimethyl-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate?
You can request a quote for Dimethyl 2-(3-benzylimino-2,2,6-trimethyl-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-(3-benzylimino-2,2,6-trimethyl-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-(3-benzylimino-2,2,6-trimethyl-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.