3-(3-(2H-Benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl)propionic acid
TL;DR: 3-(3-(2H-Benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl)propionic acid (CAS 84268-36-0) is a chemical compound with molecular formula C19H21N3O3 and molecular weight 339.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoic acid
Also Known As: 3-(3-(2H-benzo[d][1,2,3]triazol-2-yl)-5-(tert-butyl)-4-hydroxyphenyl)propanoic acid, Benzenepropanoic acid, 3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-, 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoic acid, CG 20-568, EC 630-348-4
| Molecular Formula | C19H21N3O3 |
|---|---|
| Molecular Weight | 339.16 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 88.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.1583 |
| Heavy Atoms | 25 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 84268-36-0 |
|---|---|
| SMILES | CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)O)N2N=C3C=CC=CC3=N2)O |
| InChIKey | OYGYNUPKLMDVHM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(3-(2H-Benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl)propionic acid (CAS 84268-36-0), with molecular formula C19H21N3O3 and molecular weight 339.16 g/mol. IUPAC: 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoic acid.
Chemical Property Profile of 3-(3-(2H-Benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl)propionic acid
Property Insights of 3-(3-(2H-Benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl)propionic acid
The XLogP value of 4.4 indicates that 3-(3-(2H-Benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl)propionic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-(2H-Benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl)propionic acid. Following Lipinski's Rule of Five, 3-(3-(2H-Benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl)propionic acid has 2 hydrogen bond donor(s) and 5 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 3-(3-(2H-Benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl)propionic acid?
The CAS number of 3-(3-(2H-Benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl)propionic acid is 84268-36-0.
What is the molecular formula of 3-(3-(2H-Benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl)propionic acid?
The molecular formula of 3-(3-(2H-Benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl)propionic acid is C19H21N3O3.
What is the molecular weight of 3-(3-(2H-Benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl)propionic acid?
The molecular weight of 3-(3-(2H-Benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl)propionic acid is 339.16 g/mol.
Where can I buy 3-(3-(2H-Benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl)propionic acid?
You can request a quote for 3-(3-(2H-Benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl)propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-(2H-Benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl)propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-(2H-Benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl)propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.