Acetic acid, 2-((4-methyl-5-(6-quinolinyl)-4H-1,2,4-triazol-3-yl)thio)-
TL;DR: Acetic acid, 2-((4-methyl-5-(6-quinolinyl)-4H-1,2,4-triazol-3-yl)thio)- (CAS 306935-49-9) is a chemical compound with molecular formula C14H12N4O2S and molecular weight 300.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
Also Known As: Maybridge1_005256, 2-[(4-methyl-5-quinolin-6-yl-4H-1,2,4-triazol-3-yl)thio]acetic acid, 2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid, 2-((4-Methyl-5-(quinolin-6-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid, Acetic acid, 2-[[4-methyl-5-(6-quinolinyl)-4H-1,2,4-triazol-3-yl]thio]-
| Molecular Formula | C14H12N4O2S |
|---|---|
| Molecular Weight | 300.07 g/mol |
| LogP | 2.207 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.06808 |
| Heavy Atoms | 21 |
| Complexity | 815.5942 |
Chemical Identifiers
| CAS Number | 306935-49-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)O)C2=CC3=C(C=C2)N=CC=C3 |
Product Overview
Acetic acid, 2-((4-methyl-5-(6-quinolinyl)-4H-1,2,4-triazol-3-yl)thio)- (CAS 306935-49-9), with molecular formula C14H12N4O2S and molecular weight 300.07 g/mol. IUPAC: 2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid.
Chemical Property Profile of Acetic acid, 2-((4-methyl-5-(6-quinolinyl)-4H-1,2,4-triazol-3-yl)thio)-
Property Insights of Acetic acid, 2-((4-methyl-5-(6-quinolinyl)-4H-1,2,4-triazol-3-yl)thio)-
The XLogP value of 2.207 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 2-((4-methyl-5-(6-quinolinyl)-4H-1,2,4-triazol-3-yl)thio)-. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, 2-((4-methyl-5-(6-quinolinyl)-4H-1,2,4-triazol-3-yl)thio)-. Following Lipinski's Rule of Five, Acetic acid, 2-((4-methyl-5-(6-quinolinyl)-4H-1,2,4-triazol-3-yl)thio)- has 1 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 Acetic acid, 2-((4-methyl-5-(6-quinolinyl)-4H-1,2,4-triazol-3-yl)thio)-?
The CAS number of Acetic acid, 2-((4-methyl-5-(6-quinolinyl)-4H-1,2,4-triazol-3-yl)thio)- is 306935-49-9.
What is the molecular formula of Acetic acid, 2-((4-methyl-5-(6-quinolinyl)-4H-1,2,4-triazol-3-yl)thio)-?
The molecular formula of Acetic acid, 2-((4-methyl-5-(6-quinolinyl)-4H-1,2,4-triazol-3-yl)thio)- is C14H12N4O2S.
What is the molecular weight of Acetic acid, 2-((4-methyl-5-(6-quinolinyl)-4H-1,2,4-triazol-3-yl)thio)-?
The molecular weight of Acetic acid, 2-((4-methyl-5-(6-quinolinyl)-4H-1,2,4-triazol-3-yl)thio)- is 300.07 g/mol.
Where can I buy Acetic acid, 2-((4-methyl-5-(6-quinolinyl)-4H-1,2,4-triazol-3-yl)thio)-?
You can request a quote for Acetic acid, 2-((4-methyl-5-(6-quinolinyl)-4H-1,2,4-triazol-3-yl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-((4-methyl-5-(6-quinolinyl)-4H-1,2,4-triazol-3-yl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-((4-methyl-5-(6-quinolinyl)-4H-1,2,4-triazol-3-yl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.