2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-methylphenol
TL;DR: 2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-methylphenol (CAS 132980-33-7) is a chemical compound with molecular formula C14H13N3O and molecular weight 239.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzotriazol-1-ylmethyl)-6-methylphenol
Also Known As: starbld0023669, 2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-methylphenol, 2-(benzotriazol-1-ylmethyl)-6-methylphenol, 2-(benzotriazol-1-ylmethyl)-6-methyl-phenol, 6-Methyl-2-[(1H-benzotriazol-1-yl)methyl]phenol
| Molecular Formula | C14H13N3O |
|---|---|
| Molecular Weight | 239.11 g/mol |
| LogP | 2.49362 |
| Topological Polar Surface Area | 50.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.10587 |
| Heavy Atoms | 18 |
| Complexity | 703.0805 |
Chemical Identifiers
| CAS Number | 132980-33-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)CN2C3=CC=CC=C3N=N2)O |
Product Overview
2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-methylphenol (CAS 132980-33-7), with molecular formula C14H13N3O and molecular weight 239.11 g/mol. IUPAC: 2-(benzotriazol-1-ylmethyl)-6-methylphenol.
Chemical Property Profile of 2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-methylphenol
Property Insights of 2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-methylphenol
The XLogP value of 2.49362 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-methylphenol. With a topological polar surface area (TPSA) of 50.94 Ų, 2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-methylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-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-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-methylphenol?
The CAS number of 2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-methylphenol is 132980-33-7.
What is the molecular formula of 2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-methylphenol?
The molecular formula of 2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-methylphenol is C14H13N3O.
What is the molecular weight of 2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-methylphenol?
The molecular weight of 2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-methylphenol is 239.11 g/mol.
Where can I buy 2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-methylphenol?
You can request a quote for 2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-methylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-methylphenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-methylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.