![2-[(3-Cyano-6-methoxy-2-quinolinyl)thio]-N-(5-methyl-2-benzothiazolyl)acetamide structure](/static/products/3384/338431-72-4.webp)
2-[(3-Cyano-6-methoxy-2-quinolinyl)thio]-N-(5-methyl-2-benzothiazolyl)acetamide
TL;DR: 2-[(3-Cyano-6-methoxy-2-quinolinyl)thio]-N-(5-methyl-2-benzothiazolyl)acetamide (CAS 338431-72-4) is a chemical compound with molecular formula C21H16N4O2S2 and molecular weight 420.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,3-benzothiazol-2-yl)acetamide
Also Known As: ASN 02254650, 2-[(3-Cyano-6-methoxy-2-quinolinyl)thio]-N-(5-methyl-2-benzothiazolyl)acetamide, 2-[(3-cyano-6-methoxy-2-quinolinyl)sulfanyl]-N-(5-methyl-1,3-benzothiazol-2-yl)acetamide, 2-[(3-cyano-6-methoxyquinolin-2-yl)sulfanyl]-N-(5-methyl-1,3-benzothiazol-2-yl)acetamide
| Molecular Formula | C21H16N4O2S2 |
|---|---|
| Molecular Weight | 420.07 g/mol |
| LogP | 4.764 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.07147 |
| Heavy Atoms | 29 |
| Complexity | 1277.1375 |
Chemical Identifiers
| CAS Number | 338431-72-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)SC(=N2)NC(=O)CSC3=C(C=C4C=C(C=CC4=N3)OC)C#N |
Product Overview
2-[(3-Cyano-6-methoxy-2-quinolinyl)thio]-N-(5-methyl-2-benzothiazolyl)acetamide (CAS 338431-72-4), with molecular formula C21H16N4O2S2 and molecular weight 420.07 g/mol. IUPAC: 2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,3-benzothiazol-2-yl)acetamide.
Chemical Property Profile of 2-[(3-Cyano-6-methoxy-2-quinolinyl)thio]-N-(5-methyl-2-benzothiazolyl)acetamide
Property Insights of 2-[(3-Cyano-6-methoxy-2-quinolinyl)thio]-N-(5-methyl-2-benzothiazolyl)acetamide
The XLogP value of 4.764 indicates that 2-[(3-Cyano-6-methoxy-2-quinolinyl)thio]-N-(5-methyl-2-benzothiazolyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-Cyano-6-methoxy-2-quinolinyl)thio]-N-(5-methyl-2-benzothiazolyl)acetamide. Following Lipinski's Rule of Five, 2-[(3-Cyano-6-methoxy-2-quinolinyl)thio]-N-(5-methyl-2-benzothiazolyl)acetamide has 1 hydrogen bond donor(s) and 7 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 2-[(3-Cyano-6-methoxy-2-quinolinyl)thio]-N-(5-methyl-2-benzothiazolyl)acetamide?
The CAS number of 2-[(3-Cyano-6-methoxy-2-quinolinyl)thio]-N-(5-methyl-2-benzothiazolyl)acetamide is 338431-72-4.
What is the molecular formula of 2-[(3-Cyano-6-methoxy-2-quinolinyl)thio]-N-(5-methyl-2-benzothiazolyl)acetamide?
The molecular formula of 2-[(3-Cyano-6-methoxy-2-quinolinyl)thio]-N-(5-methyl-2-benzothiazolyl)acetamide is C21H16N4O2S2.
What is the molecular weight of 2-[(3-Cyano-6-methoxy-2-quinolinyl)thio]-N-(5-methyl-2-benzothiazolyl)acetamide?
The molecular weight of 2-[(3-Cyano-6-methoxy-2-quinolinyl)thio]-N-(5-methyl-2-benzothiazolyl)acetamide is 420.07 g/mol.
Where can I buy 2-[(3-Cyano-6-methoxy-2-quinolinyl)thio]-N-(5-methyl-2-benzothiazolyl)acetamide?
You can request a quote for 2-[(3-Cyano-6-methoxy-2-quinolinyl)thio]-N-(5-methyl-2-benzothiazolyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Cyano-6-methoxy-2-quinolinyl)thio]-N-(5-methyl-2-benzothiazolyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Cyano-6-methoxy-2-quinolinyl)thio]-N-(5-methyl-2-benzothiazolyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.