2-Amino-1-phenylethyl benzoate
TL;DR: 2-Amino-1-phenylethyl benzoate (CAS 67031-54-3) 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-amino-1-phenylethyl) benzoate
Also Known As: Trichophydine, beta-Benzoyloxy-beta-phenylethyl amine, (2-amino-1-phenylethyl) benzoate, 2-amino-1-phenylethyl benzoate, 2-Amino-1-phenylethanol
| Molecular Formula | C15H15NO2 |
|---|---|
| Molecular Weight | 241.11 g/mol |
| LogP | 2.4 |
| 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 | 255.0 |
Chemical Identifiers
| CAS Number | 67031-54-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CN)OC(=O)C2=CC=CC=C2 |
| InChIKey | JFWCBGMWRXJFDF-UHFFFAOYSA-N |
Product Overview
2-Amino-1-phenylethyl benzoate (CAS 67031-54-3), with molecular formula C15H15NO2 and molecular weight 241.11 g/mol. IUPAC: (2-amino-1-phenylethyl) benzoate.
Chemical Property Profile of 2-Amino-1-phenylethyl benzoate
Property Insights of 2-Amino-1-phenylethyl benzoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-1-phenylethyl benzoate. With a topological polar surface area (TPSA) of 52.3 Ų, 2-Amino-1-phenylethyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Amino-1-phenylethyl benzoate 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 2-Amino-1-phenylethyl benzoate?
The CAS number of 2-Amino-1-phenylethyl benzoate is 67031-54-3.
What is the molecular formula of 2-Amino-1-phenylethyl benzoate?
The molecular formula of 2-Amino-1-phenylethyl benzoate is C15H15NO2.
What is the molecular weight of 2-Amino-1-phenylethyl benzoate?
The molecular weight of 2-Amino-1-phenylethyl benzoate is 241.11 g/mol.
Where can I buy 2-Amino-1-phenylethyl benzoate?
You can request a quote for 2-Amino-1-phenylethyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-1-phenylethyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-1-phenylethyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.