![tert-butyl [(3-cyano-4-thien-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetate structure](/static/products/339/339582-83-1.png)
tert-butyl [(3-cyano-4-thien-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetate
TL;DR: tert-butyl [(3-cyano-4-thien-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetate (CAS 339582-83-1) is a chemical compound with molecular formula C20H22N2O2S2 and molecular weight 386.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate
Also Known As: tert-butyl [(3-cyano-4-thien-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetate, tert-butyl {[3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate, tert-butyl 2-((3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetate, tert-butyl 2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate, TERT-BUTYL 2-{[3-CYANO-4-(2-THIENYL)-5,6,7,8-TETRAHYDRO-2-QUINOLINYL]SULFANYL}ACETATE
| Molecular Formula | C20H22N2O2S2 |
|---|---|
| Molecular Weight | 386.11 g/mol |
| LogP | 4.99438 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.11227 |
| Heavy Atoms | 26 |
| Complexity | 846.17175 |
Chemical Identifiers
| CAS Number | 339582-83-1 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CSC1=NC2=C(CCCC2)C(=C1C#N)C3=CC=CS3 |
Product Overview
tert-butyl [(3-cyano-4-thien-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetate (CAS 339582-83-1), with molecular formula C20H22N2O2S2 and molecular weight 386.11 g/mol. IUPAC: tert-butyl 2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate.
Chemical Property Profile of tert-butyl [(3-cyano-4-thien-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetate
Property Insights of tert-butyl [(3-cyano-4-thien-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetate
The XLogP value of 4.99438 indicates that tert-butyl [(3-cyano-4-thien-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl [(3-cyano-4-thien-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetate. Following Lipinski's Rule of Five, tert-butyl [(3-cyano-4-thien-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of tert-butyl [(3-cyano-4-thien-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetate?
The CAS number of tert-butyl [(3-cyano-4-thien-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetate is 339582-83-1.
What is the molecular formula of tert-butyl [(3-cyano-4-thien-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetate?
The molecular formula of tert-butyl [(3-cyano-4-thien-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetate is C20H22N2O2S2.
What is the molecular weight of tert-butyl [(3-cyano-4-thien-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetate?
The molecular weight of tert-butyl [(3-cyano-4-thien-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetate is 386.11 g/mol.
Where can I buy tert-butyl [(3-cyano-4-thien-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetate?
You can request a quote for tert-butyl [(3-cyano-4-thien-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl [(3-cyano-4-thien-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl [(3-cyano-4-thien-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.