methyl 2-((3-cyano-4-(pyridin-4-yl)-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetate
TL;DR: methyl 2-((3-cyano-4-(pyridin-4-yl)-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetate (CAS 210766-88-4) is a chemical compound with molecular formula C18H17N3O2S and molecular weight 339.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-cyano-4-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate
Also Known As: methyl 2-((3-cyano-4-(pyridin-4-yl)-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetate, (3-Cyano-4-pyridin-4-yl-5,6,7,8-tetrahydro-quinolin-2-ylsulfanyl)-acetic acid methyl ester, Methyl ([3-cyano-4-(4-pyridinyl)-5,6,7,8-tetrahydro-2-quinolinyl]sulfanyl)acetate #, methyl {[3-cyano-4-(pyridin-4-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate, methyl 2-[(3-cyano-4-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate
| Molecular Formula | C18H17N3O2S |
|---|---|
| Molecular Weight | 339.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.10416 |
| Heavy Atoms | 24 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 210766-88-4 |
|---|---|
| SMILES | COC(=O)CSC1=NC2=C(CCCC2)C(=C1C#N)C3=CC=NC=C3 |
| InChIKey | SSMZCTLPXVBFFK-UHFFFAOYSA-N |
Product Overview
methyl 2-((3-cyano-4-(pyridin-4-yl)-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetate (CAS 210766-88-4), with molecular formula C18H17N3O2S and molecular weight 339.10 g/mol. IUPAC: methyl 2-[(3-cyano-4-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate.
Chemical Property Profile of methyl 2-((3-cyano-4-(pyridin-4-yl)-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetate
Property Insights of methyl 2-((3-cyano-4-(pyridin-4-yl)-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetate
The XLogP value of 3.1 indicates that methyl 2-((3-cyano-4-(pyridin-4-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 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-((3-cyano-4-(pyridin-4-yl)-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetate. Following Lipinski's Rule of Five, methyl 2-((3-cyano-4-(pyridin-4-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 methyl 2-((3-cyano-4-(pyridin-4-yl)-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetate?
The CAS number of methyl 2-((3-cyano-4-(pyridin-4-yl)-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetate is 210766-88-4.
What is the molecular formula of methyl 2-((3-cyano-4-(pyridin-4-yl)-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetate?
The molecular formula of methyl 2-((3-cyano-4-(pyridin-4-yl)-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetate is C18H17N3O2S.
What is the molecular weight of methyl 2-((3-cyano-4-(pyridin-4-yl)-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetate?
The molecular weight of methyl 2-((3-cyano-4-(pyridin-4-yl)-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetate is 339.10 g/mol.
Where can I buy methyl 2-((3-cyano-4-(pyridin-4-yl)-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetate?
You can request a quote for methyl 2-((3-cyano-4-(pyridin-4-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 methyl 2-((3-cyano-4-(pyridin-4-yl)-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-((3-cyano-4-(pyridin-4-yl)-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.