2-(5-Oxo-4-(p-tolyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetic acid
TL;DR: 2-(5-Oxo-4-(p-tolyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetic acid (CAS 860612-22-2) is a chemical compound with molecular formula C11H11N3O3 and molecular weight 233.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]acetic acid
Also Known As: 2-(5-Oxo-4-(p-tolyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetic acid, 3433AC, 2-[4-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]acetic Acid, 10W-0804, N.N-Bis-<2-chlor-aethyl>-3.4.5-trimethoxy-benzamid
| Molecular Formula | C11H11N3O3 |
|---|---|
| Molecular Weight | 233.08 g/mol |
| LogP | 0.42702 |
| Topological Polar Surface Area | 77.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.08005 |
| Heavy Atoms | 17 |
| Complexity | 595.1694 |
Chemical Identifiers
| CAS Number | 860612-22-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C=NN(C2=O)CC(=O)O |
Product Overview
2-(5-Oxo-4-(p-tolyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetic acid (CAS 860612-22-2), with molecular formula C11H11N3O3 and molecular weight 233.08 g/mol. IUPAC: 2-[4-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]acetic acid.
Chemical Property Profile of 2-(5-Oxo-4-(p-tolyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetic acid
Property Insights of 2-(5-Oxo-4-(p-tolyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetic acid
The XLogP value of 0.42702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-Oxo-4-(p-tolyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetic acid. The TPSA of 77.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-Oxo-4-(p-tolyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetic acid. Following Lipinski's Rule of Five, 2-(5-Oxo-4-(p-tolyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetic acid has 1 hydrogen bond donor(s) and 3 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-Oxo-4-(p-tolyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetic acid?
The CAS number of 2-(5-Oxo-4-(p-tolyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetic acid is 860612-22-2.
What is the molecular formula of 2-(5-Oxo-4-(p-tolyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetic acid?
The molecular formula of 2-(5-Oxo-4-(p-tolyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetic acid is C11H11N3O3.
What is the molecular weight of 2-(5-Oxo-4-(p-tolyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetic acid?
The molecular weight of 2-(5-Oxo-4-(p-tolyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetic acid is 233.08 g/mol.
Where can I buy 2-(5-Oxo-4-(p-tolyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetic acid?
You can request a quote for 2-(5-Oxo-4-(p-tolyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)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-Oxo-4-(p-tolyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Oxo-4-(p-tolyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.