2-(2H-Benzotriazol-2-yl)-5-methylphenol
TL;DR: 2-(2H-Benzotriazol-2-yl)-5-methylphenol (CAS 4998-48-5) is a chemical compound with molecular formula C13H11N3O and molecular weight 225.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzotriazol-2-yl)-5-methylphenol
Also Known As: 2-(2H-Benzotriazol-2-yl)-5-methylphenol, 2-(benzotriazol-2-yl)-5-methylphenol, 2(2'-hydroxy-4'-methylphenyl) benzotriazole, J1.405.467G, 2-(2H-1,2,3-Benzotriazol-2-yl)-5-methylphenol
| Molecular Formula | C13H11N3O |
|---|---|
| Molecular Weight | 225.09 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 50.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.09021 |
| Heavy Atoms | 17 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 4998-48-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2N=C3C=CC=CC3=N2)O |
| InChIKey | RTFZCRWZPPIBGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2H-Benzotriazol-2-yl)-5-methylphenol (CAS 4998-48-5), with molecular formula C13H11N3O and molecular weight 225.09 g/mol. IUPAC: 2-(benzotriazol-2-yl)-5-methylphenol.
Chemical Property Profile of 2-(2H-Benzotriazol-2-yl)-5-methylphenol
Property Insights of 2-(2H-Benzotriazol-2-yl)-5-methylphenol
The XLogP value of 4.3 indicates that 2-(2H-Benzotriazol-2-yl)-5-methylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.9 Ų, 2-(2H-Benzotriazol-2-yl)-5-methylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2H-Benzotriazol-2-yl)-5-methylphenol 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-(2H-Benzotriazol-2-yl)-5-methylphenol?
The CAS number of 2-(2H-Benzotriazol-2-yl)-5-methylphenol is 4998-48-5.
What is the molecular formula of 2-(2H-Benzotriazol-2-yl)-5-methylphenol?
The molecular formula of 2-(2H-Benzotriazol-2-yl)-5-methylphenol is C13H11N3O.
What is the molecular weight of 2-(2H-Benzotriazol-2-yl)-5-methylphenol?
The molecular weight of 2-(2H-Benzotriazol-2-yl)-5-methylphenol is 225.09 g/mol.
Where can I buy 2-(2H-Benzotriazol-2-yl)-5-methylphenol?
You can request a quote for 2-(2H-Benzotriazol-2-yl)-5-methylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2H-Benzotriazol-2-yl)-5-methylphenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(2H-Benzotriazol-2-yl)-5-methylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.