2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl benzoate
TL;DR: 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl benzoate (CAS 107909-80-8) is a chemical compound with molecular formula C20H15N3O2 and molecular weight 329.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(benzotriazol-2-yl)-4-methylphenyl] benzoate
Also Known As: ChemDiv3_000160, IDI1_019478, BAS 00219636, J1.851.447H, 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl benzoate
| Molecular Formula | C20H15N3O2 |
|---|---|
| Molecular Weight | 329.12 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 57.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.11642 |
| Heavy Atoms | 25 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 107909-80-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2)N3N=C4C=CC=CC4=N3 |
| InChIKey | WWTJDMIKDWPHID-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl benzoate (CAS 107909-80-8), with molecular formula C20H15N3O2 and molecular weight 329.12 g/mol. IUPAC: [2-(benzotriazol-2-yl)-4-methylphenyl] benzoate.
Chemical Property Profile of 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl benzoate
Property Insights of 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl benzoate
The XLogP value of 6.1 indicates that 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.0 Ų, 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl benzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl benzoate?
The CAS number of 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl benzoate is 107909-80-8.
What is the molecular formula of 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl benzoate?
The molecular formula of 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl benzoate is C20H15N3O2.
What is the molecular weight of 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl benzoate?
The molecular weight of 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl benzoate is 329.12 g/mol.
Where can I buy 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl benzoate?
You can request a quote for 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.