2-(1-benzyl-3-methyl-1H-1,2,4-triazol-5-yl)phenol
TL;DR: 2-(1-benzyl-3-methyl-1H-1,2,4-triazol-5-yl)phenol (CAS 302812-22-2) is a chemical compound with molecular formula C16H15N3O and molecular weight 265.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)phenol
Also Known As: 2-(1-benzyl-3-methyl-1H-1,2,4-triazol-5-yl)phenol, 2-[3-methyl-1-benzyl-1,2,4-triazol-5-yl]phenol, 6-(2-benzyl-5-methyl-1H-1,2,4-triazol-3-ylidene)cyclohexa-2,4-dien-1-one
| Molecular Formula | C16H15N3O |
|---|---|
| Molecular Weight | 265.12 g/mol |
| LogP | 3.00742 |
| Topological Polar Surface Area | 50.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.12152 |
| Heavy Atoms | 20 |
| Complexity | 719.59674 |
Chemical Identifiers
| CAS Number | 302812-22-2 |
|---|---|
| SMILES | CC1=NN(C(=N1)C2=CC=CC=C2O)CC3=CC=CC=C3 |
Product Overview
2-(1-benzyl-3-methyl-1H-1,2,4-triazol-5-yl)phenol (CAS 302812-22-2), with molecular formula C16H15N3O and molecular weight 265.12 g/mol. IUPAC: 2-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)phenol.
Chemical Property Profile of 2-(1-benzyl-3-methyl-1H-1,2,4-triazol-5-yl)phenol
Property Insights of 2-(1-benzyl-3-methyl-1H-1,2,4-triazol-5-yl)phenol
The XLogP value of 3.00742 indicates that 2-(1-benzyl-3-methyl-1H-1,2,4-triazol-5-yl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.94 Ų, 2-(1-benzyl-3-methyl-1H-1,2,4-triazol-5-yl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-benzyl-3-methyl-1H-1,2,4-triazol-5-yl)phenol 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-(1-benzyl-3-methyl-1H-1,2,4-triazol-5-yl)phenol?
The CAS number of 2-(1-benzyl-3-methyl-1H-1,2,4-triazol-5-yl)phenol is 302812-22-2.
What is the molecular formula of 2-(1-benzyl-3-methyl-1H-1,2,4-triazol-5-yl)phenol?
The molecular formula of 2-(1-benzyl-3-methyl-1H-1,2,4-triazol-5-yl)phenol is C16H15N3O.
What is the molecular weight of 2-(1-benzyl-3-methyl-1H-1,2,4-triazol-5-yl)phenol?
The molecular weight of 2-(1-benzyl-3-methyl-1H-1,2,4-triazol-5-yl)phenol is 265.12 g/mol.
Where can I buy 2-(1-benzyl-3-methyl-1H-1,2,4-triazol-5-yl)phenol?
You can request a quote for 2-(1-benzyl-3-methyl-1H-1,2,4-triazol-5-yl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-benzyl-3-methyl-1H-1,2,4-triazol-5-yl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-benzyl-3-methyl-1H-1,2,4-triazol-5-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.