Phenethyl anthranilate
TL;DR: Phenethyl anthranilate (CAS 133-18-6) is a chemical compound with molecular formula C15H15NO2 and molecular weight 241.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 2-aminobenzoate
Also Known As: PHENETHYL ANTHRANILATE, 2-Phenylethyl 2-aminobenzoate, Phenylethyl anthranilate, 2-Phenylethyl anthranilate, Benzylcarbinyl anthranilate
| Molecular Formula | C15H15NO2 |
|---|---|
| Molecular Weight | 241.11 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 241.11028 |
| Heavy Atoms | 18 |
| Complexity | 261.0 |
| Melting Point | 42 °C |
| Density | 1.14 at 25.0 °C |
| Solubility | Insoluble (<1 mg/ml at 68.0 °F) (NTP, 1992) |
Chemical Identifiers
| CAS Number | 133-18-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCOC(=O)C2=CC=CC=C2N |
| InChIKey | PXWNBAGCFUDYBE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenethyl anthranilate (CAS 133-18-6), with molecular formula C15H15NO2 and molecular weight 241.11 g/mol. IUPAC: 2-phenylethyl 2-aminobenzoate.
Chemical Property Profile of Phenethyl anthranilate
Property Insights of Phenethyl anthranilate
The XLogP value of 4.2 indicates that Phenethyl anthranilate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, Phenethyl anthranilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenethyl anthranilate has 1 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 Phenethyl anthranilate?
The CAS number of Phenethyl anthranilate is 133-18-6.
What is the molecular formula of Phenethyl anthranilate?
The molecular formula of Phenethyl anthranilate is C15H15NO2.
What is the molecular weight of Phenethyl anthranilate?
The molecular weight of Phenethyl anthranilate is 241.11 g/mol.
Where can I buy Phenethyl anthranilate?
You can request a quote for Phenethyl anthranilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenethyl anthranilate?
Yes, KEHONG BIO provides custom synthesis services for Phenethyl anthranilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.