![Methyl 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]benzoate structure](/static/products/4390/439095-86-0.webp)
Methyl 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]benzoate
TL;DR: Methyl 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]benzoate (CAS 439095-86-0) is a chemical compound with molecular formula C18H16N2O2S and molecular weight 324.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]benzoate
Also Known As: methyl 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]benzoate, methyl 2-[(3-cyano-5,6,7,8-tetrahydro-2-quinolinyl)sulfanyl]benzenecarboxylate, 1T-1255, methyl2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]benzoate
| Molecular Formula | C18H16N2O2S |
|---|---|
| Molecular Weight | 324.09 g/mol |
| LogP | 3.76988 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.09326 |
| Heavy Atoms | 23 |
| Complexity | 796.094 |
Chemical Identifiers
| CAS Number | 439095-86-0 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1SC2=C(C=C3CCCCC3=N2)C#N |
Product Overview
Methyl 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]benzoate (CAS 439095-86-0), with molecular formula C18H16N2O2S and molecular weight 324.09 g/mol. IUPAC: methyl 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]benzoate.
Chemical Property Profile of Methyl 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]benzoate
Property Insights of Methyl 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]benzoate
The XLogP value of 3.76988 indicates that Methyl 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]benzoate 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 Methyl 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]benzoate. Following Lipinski's Rule of Five, Methyl 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]benzoate has 0 hydrogen bond donor(s) and 5 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-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]benzoate?
The CAS number of Methyl 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]benzoate is 439095-86-0.
What is the molecular formula of Methyl 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]benzoate?
The molecular formula of Methyl 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]benzoate is C18H16N2O2S.
What is the molecular weight of Methyl 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]benzoate?
The molecular weight of Methyl 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]benzoate is 324.09 g/mol.
Where can I buy Methyl 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]benzoate?
You can request a quote for Methyl 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]benzoate 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-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.