2-(2H-benzotriazol-2-yl)-4-methylphenyl hexanoate
TL;DR: 2-(2H-benzotriazol-2-yl)-4-methylphenyl hexanoate (CAS 107909-85-3) is a chemical compound with molecular formula C19H21N3O2 and molecular weight 323.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(benzotriazol-2-yl)-4-methylphenyl] hexanoate
Also Known As: BAS 00397171, [2-(benzotriazol-2-yl)-4-methylphenyl] hexanoate, 2-(2H-benzotriazol-2-yl)-4-methylphenyl hexanoate, 2-(2-hydrobenzotriazol-2-yl)-4-methylphenyl hexanoate, Hexanoic acid 2-benzotriazol-2-yl-4-methyl-phenyl ester
| Molecular Formula | C19H21N3O2 |
|---|---|
| Molecular Weight | 323.16 g/mol |
| LogP | 4.21462 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 323.1634 |
| Heavy Atoms | 24 |
| Complexity | 821.6941 |
Chemical Identifiers
| CAS Number | 107909-85-3 |
|---|---|
| SMILES | CCCCCC(=O)OC1=C(C=C(C=C1)C)N2N=C3C=CC=CC3=N2 |
Product Overview
2-(2H-benzotriazol-2-yl)-4-methylphenyl hexanoate (CAS 107909-85-3), with molecular formula C19H21N3O2 and molecular weight 323.16 g/mol. IUPAC: [2-(benzotriazol-2-yl)-4-methylphenyl] hexanoate.
Chemical Property Profile of 2-(2H-benzotriazol-2-yl)-4-methylphenyl hexanoate
Property Insights of 2-(2H-benzotriazol-2-yl)-4-methylphenyl hexanoate
The XLogP value of 4.21462 indicates that 2-(2H-benzotriazol-2-yl)-4-methylphenyl hexanoate 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 hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2H-benzotriazol-2-yl)-4-methylphenyl hexanoate 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 hexanoate?
The CAS number of 2-(2H-benzotriazol-2-yl)-4-methylphenyl hexanoate is 107909-85-3.
What is the molecular formula of 2-(2H-benzotriazol-2-yl)-4-methylphenyl hexanoate?
The molecular formula of 2-(2H-benzotriazol-2-yl)-4-methylphenyl hexanoate is C19H21N3O2.
What is the molecular weight of 2-(2H-benzotriazol-2-yl)-4-methylphenyl hexanoate?
The molecular weight of 2-(2H-benzotriazol-2-yl)-4-methylphenyl hexanoate is 323.16 g/mol.
Where can I buy 2-(2H-benzotriazol-2-yl)-4-methylphenyl hexanoate?
You can request a quote for 2-(2H-benzotriazol-2-yl)-4-methylphenyl hexanoate 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 hexanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2H-benzotriazol-2-yl)-4-methylphenyl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.