2-((5-Methyl-4-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
TL;DR: 2-((5-Methyl-4-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid (CAS 886498-52-8) is a chemical compound with molecular formula C15H13N3O2S and molecular weight 299.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-methyl-4-naphthalen-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
Also Known As: 2-((5-Methyl-4-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid, (5-Methyl-4-naphthalen-1-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid, 2-[(5-methyl-4-naphthalen-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetic Acid, 2-{[5-methyl-4-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid, (5-Methyl-4-naphthalen-1-yl-4H-[1,2,4]triazol-3-ylsulfanyl)acetic acid
| Molecular Formula | C15H13N3O2S |
|---|---|
| Molecular Weight | 299.07 g/mol |
| LogP | 2.90562 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.07285 |
| Heavy Atoms | 21 |
| Complexity | 808.2889 |
Chemical Identifiers
| CAS Number | 886498-52-8 |
|---|---|
| SMILES | CC1=NN=C(N1C2=CC=CC3=CC=CC=C32)SCC(=O)O |
Product Overview
2-((5-Methyl-4-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid (CAS 886498-52-8), with molecular formula C15H13N3O2S and molecular weight 299.07 g/mol. IUPAC: 2-[(5-methyl-4-naphthalen-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid.
Chemical Property Profile of 2-((5-Methyl-4-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
Property Insights of 2-((5-Methyl-4-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
The XLogP value of 2.90562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((5-Methyl-4-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-Methyl-4-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid. Following Lipinski's Rule of Five, 2-((5-Methyl-4-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid has 1 hydrogen bond donor(s) and 4 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-((5-Methyl-4-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid?
The CAS number of 2-((5-Methyl-4-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid is 886498-52-8.
What is the molecular formula of 2-((5-Methyl-4-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid?
The molecular formula of 2-((5-Methyl-4-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid is C15H13N3O2S.
What is the molecular weight of 2-((5-Methyl-4-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid?
The molecular weight of 2-((5-Methyl-4-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid is 299.07 g/mol.
Where can I buy 2-((5-Methyl-4-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid?
You can request a quote for 2-((5-Methyl-4-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-Methyl-4-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-Methyl-4-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.