1-(3,4,5-Trimethylphenoxymethyl)-1H-1,2,3-benzotriazole
TL;DR: 1-(3,4,5-Trimethylphenoxymethyl)-1H-1,2,3-benzotriazole (CAS 204907-95-9) is a chemical compound with molecular formula C16H17N3O and molecular weight 267.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3,4,5-trimethylphenoxy)methyl]benzotriazole
Also Known As: 1-(3,4,5-Trimethylphenoxymethyl)-1H-1,2,3-benzotriazole, 1-[(3,4,5-trimethylphenoxy)methyl]benzotriazole
| Molecular Formula | C16H17N3O |
|---|---|
| Molecular Weight | 267.14 g/mol |
| LogP | 3.39306 |
| Topological Polar Surface Area | 39.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.13718 |
| Heavy Atoms | 20 |
| Complexity | 738.253 |
Chemical Identifiers
| CAS Number | 204907-95-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C)C)OCN2C3=CC=CC=C3N=N2 |
Product Overview
1-(3,4,5-Trimethylphenoxymethyl)-1H-1,2,3-benzotriazole (CAS 204907-95-9), with molecular formula C16H17N3O and molecular weight 267.14 g/mol. IUPAC: 1-[(3,4,5-trimethylphenoxy)methyl]benzotriazole.
Chemical Property Profile of 1-(3,4,5-Trimethylphenoxymethyl)-1H-1,2,3-benzotriazole
Property Insights of 1-(3,4,5-Trimethylphenoxymethyl)-1H-1,2,3-benzotriazole
The XLogP value of 3.39306 indicates that 1-(3,4,5-Trimethylphenoxymethyl)-1H-1,2,3-benzotriazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.94 Ų, 1-(3,4,5-Trimethylphenoxymethyl)-1H-1,2,3-benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4,5-Trimethylphenoxymethyl)-1H-1,2,3-benzotriazole has 0 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 1-(3,4,5-Trimethylphenoxymethyl)-1H-1,2,3-benzotriazole?
The CAS number of 1-(3,4,5-Trimethylphenoxymethyl)-1H-1,2,3-benzotriazole is 204907-95-9.
What is the molecular formula of 1-(3,4,5-Trimethylphenoxymethyl)-1H-1,2,3-benzotriazole?
The molecular formula of 1-(3,4,5-Trimethylphenoxymethyl)-1H-1,2,3-benzotriazole is C16H17N3O.
What is the molecular weight of 1-(3,4,5-Trimethylphenoxymethyl)-1H-1,2,3-benzotriazole?
The molecular weight of 1-(3,4,5-Trimethylphenoxymethyl)-1H-1,2,3-benzotriazole is 267.14 g/mol.
Where can I buy 1-(3,4,5-Trimethylphenoxymethyl)-1H-1,2,3-benzotriazole?
You can request a quote for 1-(3,4,5-Trimethylphenoxymethyl)-1H-1,2,3-benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4,5-Trimethylphenoxymethyl)-1H-1,2,3-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4,5-Trimethylphenoxymethyl)-1H-1,2,3-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.