ethyl (2Z)-2-(1-butanoyl-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
TL;DR: ethyl (2Z)-2-(1-butanoyl-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate (CAS 331973-72-9) is a chemical compound with molecular formula C27H27NO3S3 and molecular weight 509.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-(1-butanoyl-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
Also Known As: ethyl (2Z)-2-(1-butanoyl-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate, (Z)-ethyl 2-(1-butyryl-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate, ethyl (2Z)-2-(1-butanoyl-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate, ethyl 2-(1-butanoyl-2,2-dimethyl-3-thioxo(4-1,2-dihydroquinolylidene))-5-pheny l-1,3-dithiolene-4-carboxylate, ethyl 2-(1-butyryl-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-5-phenyl-1,3-dithiole-4-carboxylate
| Molecular Formula | C27H27NO3S3 |
|---|---|
| Molecular Weight | 509.12 g/mol |
| LogP | 7.0623 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 509.1153 |
| Heavy Atoms | 34 |
| Complexity | 1214.636 |
Chemical Identifiers
| CAS Number | 331973-72-9 |
|---|---|
| SMILES | CCCC(=O)N1C2=CC=CC=C2/C(=C/3\SC(=C(S3)C(=O)OCC)C4=CC=CC=C4)/C(=S)C1(C)C |
Product Overview
ethyl (2Z)-2-(1-butanoyl-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate (CAS 331973-72-9), with molecular formula C27H27NO3S3 and molecular weight 509.12 g/mol. IUPAC: ethyl (2Z)-2-(1-butanoyl-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate.
Chemical Property Profile of ethyl (2Z)-2-(1-butanoyl-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
Property Insights of ethyl (2Z)-2-(1-butanoyl-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
The XLogP value of 7.0623 indicates that ethyl (2Z)-2-(1-butanoyl-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, ethyl (2Z)-2-(1-butanoyl-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (2Z)-2-(1-butanoyl-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl (2Z)-2-(1-butanoyl-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate?
The CAS number of ethyl (2Z)-2-(1-butanoyl-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate is 331973-72-9.
What is the molecular formula of ethyl (2Z)-2-(1-butanoyl-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate?
The molecular formula of ethyl (2Z)-2-(1-butanoyl-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate is C27H27NO3S3.
What is the molecular weight of ethyl (2Z)-2-(1-butanoyl-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate?
The molecular weight of ethyl (2Z)-2-(1-butanoyl-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate is 509.12 g/mol.
Where can I buy ethyl (2Z)-2-(1-butanoyl-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate?
You can request a quote for ethyl (2Z)-2-(1-butanoyl-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (2Z)-2-(1-butanoyl-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2Z)-2-(1-butanoyl-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.