![Methyl [(3-cyano-5,6,7,8-tetrahydro-2-quinolinyl)sulfanyl]acetate structure](/static/products/314/314764-03-9.png)
Methyl [(3-cyano-5,6,7,8-tetrahydro-2-quinolinyl)sulfanyl]acetate
TL;DR: Methyl [(3-cyano-5,6,7,8-tetrahydro-2-quinolinyl)sulfanyl]acetate (CAS 314764-03-9) is a chemical compound with molecular formula C13H14N2O2S and molecular weight 262.08 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]acetate
Also Known As: BAS 02058392, AB01281043-01, methyl [(3-cyano-5,6,7,8-tetrahydro-2-quinolinyl)sulfanyl]acetate, AN-329/40130308, methyl 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate
| Molecular Formula | C13H14N2O2S |
|---|---|
| Molecular Weight | 262.08 g/mol |
| LogP | 2.09718 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.0776 |
| Heavy Atoms | 18 |
| Complexity | 508.4481 |
Chemical Identifiers
| CAS Number | 314764-03-9 |
|---|---|
| SMILES | COC(=O)CSC1=C(C=C2CCCCC2=N1)C#N |
Product Overview
Methyl [(3-cyano-5,6,7,8-tetrahydro-2-quinolinyl)sulfanyl]acetate (CAS 314764-03-9), with molecular formula C13H14N2O2S and molecular weight 262.08 g/mol. IUPAC: methyl 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate.
Chemical Property Profile of Methyl [(3-cyano-5,6,7,8-tetrahydro-2-quinolinyl)sulfanyl]acetate
Property Insights of Methyl [(3-cyano-5,6,7,8-tetrahydro-2-quinolinyl)sulfanyl]acetate
The XLogP value of 2.09718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl [(3-cyano-5,6,7,8-tetrahydro-2-quinolinyl)sulfanyl]acetate. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl [(3-cyano-5,6,7,8-tetrahydro-2-quinolinyl)sulfanyl]acetate. Following Lipinski's Rule of Five, Methyl [(3-cyano-5,6,7,8-tetrahydro-2-quinolinyl)sulfanyl]acetate 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 [(3-cyano-5,6,7,8-tetrahydro-2-quinolinyl)sulfanyl]acetate?
The CAS number of Methyl [(3-cyano-5,6,7,8-tetrahydro-2-quinolinyl)sulfanyl]acetate is 314764-03-9.
What is the molecular formula of Methyl [(3-cyano-5,6,7,8-tetrahydro-2-quinolinyl)sulfanyl]acetate?
The molecular formula of Methyl [(3-cyano-5,6,7,8-tetrahydro-2-quinolinyl)sulfanyl]acetate is C13H14N2O2S.
What is the molecular weight of Methyl [(3-cyano-5,6,7,8-tetrahydro-2-quinolinyl)sulfanyl]acetate?
The molecular weight of Methyl [(3-cyano-5,6,7,8-tetrahydro-2-quinolinyl)sulfanyl]acetate is 262.08 g/mol.
Where can I buy Methyl [(3-cyano-5,6,7,8-tetrahydro-2-quinolinyl)sulfanyl]acetate?
You can request a quote for Methyl [(3-cyano-5,6,7,8-tetrahydro-2-quinolinyl)sulfanyl]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-5,6,7,8-tetrahydro-2-quinolinyl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl [(3-cyano-5,6,7,8-tetrahydro-2-quinolinyl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.