2-(2H-benzotriazol-2-yl)-4-methylphenyl (2E)-3-phenylprop-2-enoate
TL;DR: 2-(2H-benzotriazol-2-yl)-4-methylphenyl (2E)-3-phenylprop-2-enoate (CAS 107909-79-5) is a chemical compound with molecular formula C22H17N3O2 and molecular weight 355.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(benzotriazol-2-yl)-4-methylphenyl] (E)-3-phenylprop-2-enoate
Also Known As: BAS 00219778, 2-(2H-benzo[d][1,2,3]triazol-2-yl)-4-methylphenyl cinnamate, [2-(benzotriazol-2-yl)-4-methylphenyl] (E)-3-phenylprop-2-enoate, 3-Phenyl-acrylic acid 2-benzotriazol-2-yl-4-methyl-phenyl ester, 2-(2H-1,2,3-BENZOTRIAZOL-2-YL)-4-METHYLPHENYL 3-PHENYLACRYLATE
| Molecular Formula | C22H17N3O2 |
|---|---|
| Molecular Weight | 355.13 g/mol |
| LogP | 4.34772 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.13208 |
| Heavy Atoms | 27 |
| Complexity | 1097.734 |
Chemical Identifiers
| CAS Number | 107909-79-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC(=O)/C=C/C2=CC=CC=C2)N3N=C4C=CC=CC4=N3 |
Product Overview
2-(2H-benzotriazol-2-yl)-4-methylphenyl (2E)-3-phenylprop-2-enoate (CAS 107909-79-5), with molecular formula C22H17N3O2 and molecular weight 355.13 g/mol. IUPAC: [2-(benzotriazol-2-yl)-4-methylphenyl] (E)-3-phenylprop-2-enoate.
Chemical Property Profile of 2-(2H-benzotriazol-2-yl)-4-methylphenyl (2E)-3-phenylprop-2-enoate
Property Insights of 2-(2H-benzotriazol-2-yl)-4-methylphenyl (2E)-3-phenylprop-2-enoate
The XLogP value of 4.34772 indicates that 2-(2H-benzotriazol-2-yl)-4-methylphenyl (2E)-3-phenylprop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, 2-(2H-benzotriazol-2-yl)-4-methylphenyl (2E)-3-phenylprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2H-benzotriazol-2-yl)-4-methylphenyl (2E)-3-phenylprop-2-enoate has 0 hydrogen bond donor(s) and 4 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)-4-methylphenyl (2E)-3-phenylprop-2-enoate?
The CAS number of 2-(2H-benzotriazol-2-yl)-4-methylphenyl (2E)-3-phenylprop-2-enoate is 107909-79-5.
What is the molecular formula of 2-(2H-benzotriazol-2-yl)-4-methylphenyl (2E)-3-phenylprop-2-enoate?
The molecular formula of 2-(2H-benzotriazol-2-yl)-4-methylphenyl (2E)-3-phenylprop-2-enoate is C22H17N3O2.
What is the molecular weight of 2-(2H-benzotriazol-2-yl)-4-methylphenyl (2E)-3-phenylprop-2-enoate?
The molecular weight of 2-(2H-benzotriazol-2-yl)-4-methylphenyl (2E)-3-phenylprop-2-enoate is 355.13 g/mol.
Where can I buy 2-(2H-benzotriazol-2-yl)-4-methylphenyl (2E)-3-phenylprop-2-enoate?
You can request a quote for 2-(2H-benzotriazol-2-yl)-4-methylphenyl (2E)-3-phenylprop-2-enoate 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)-4-methylphenyl (2E)-3-phenylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2H-benzotriazol-2-yl)-4-methylphenyl (2E)-3-phenylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.