![methyl {[3-cyano-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-2-quinolinyl]thio}acetate structure](/static/products/3135/313550-91-3.webp)
methyl {[3-cyano-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-2-quinolinyl]thio}acetate
TL;DR: methyl {[3-cyano-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-2-quinolinyl]thio}acetate (CAS 313550-91-3) is a chemical compound with molecular formula C19H18N2O3S and molecular weight 354.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-cyano-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate
Also Known As: methyl {[3-cyano-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-2-quinolinyl]thio}acetate, methyl {[3-cyano-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate, methyl 2-((3-cyano-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetate, methyl 2-{[3-cyano-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate, methyl 2-[[3-cyano-4-(4-oxocyclohexa-2,5-dien-1-ylidene)-5,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetate
| Molecular Formula | C19H18N2O3S |
|---|---|
| Molecular Weight | 354.10 g/mol |
| LogP | 3.46978 |
| Topological Polar Surface Area | 83.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.10382 |
| Heavy Atoms | 25 |
| Complexity | 841.2282 |
Chemical Identifiers
| CAS Number | 313550-91-3 |
|---|---|
| SMILES | COC(=O)CSC1=NC2=C(CCCC2)C(=C1C#N)C3=CC=C(C=C3)O |
Product Overview
methyl {[3-cyano-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-2-quinolinyl]thio}acetate (CAS 313550-91-3), with molecular formula C19H18N2O3S and molecular weight 354.10 g/mol. IUPAC: methyl 2-[[3-cyano-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate.
Chemical Property Profile of methyl {[3-cyano-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-2-quinolinyl]thio}acetate
Property Insights of methyl {[3-cyano-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-2-quinolinyl]thio}acetate
The XLogP value of 3.46978 indicates that methyl {[3-cyano-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-2-quinolinyl]thio}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.21 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl {[3-cyano-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-2-quinolinyl]thio}acetate. Following Lipinski's Rule of Five, methyl {[3-cyano-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-2-quinolinyl]thio}acetate has 1 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 methyl {[3-cyano-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-2-quinolinyl]thio}acetate?
The CAS number of methyl {[3-cyano-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-2-quinolinyl]thio}acetate is 313550-91-3.
What is the molecular formula of methyl {[3-cyano-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-2-quinolinyl]thio}acetate?
The molecular formula of methyl {[3-cyano-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-2-quinolinyl]thio}acetate is C19H18N2O3S.
What is the molecular weight of methyl {[3-cyano-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-2-quinolinyl]thio}acetate?
The molecular weight of methyl {[3-cyano-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-2-quinolinyl]thio}acetate is 354.10 g/mol.
Where can I buy methyl {[3-cyano-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-2-quinolinyl]thio}acetate?
You can request a quote for methyl {[3-cyano-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-2-quinolinyl]thio}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl {[3-cyano-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-2-quinolinyl]thio}acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl {[3-cyano-4-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-2-quinolinyl]thio}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.