Benzyl 3-(4-aminophenyl)propanoate
TL;DR: Benzyl 3-(4-aminophenyl)propanoate (CAS 269072-33-5) is a chemical compound with molecular formula C16H17NO2 and molecular weight 255.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3-(4-aminophenyl)propanoate
Also Known As: benzyl 3-(4-aminophenyl)propanoate, Dichlorophosphorsaeure-o-tolylester, 4-(2-(Benzyloxycarbonyl)ethyl)aniline, J3.270.733E
| Molecular Formula | C16H17NO2 |
|---|---|
| Molecular Weight | 255.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 255.12593 |
| Heavy Atoms | 19 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 269072-33-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CCC2=CC=C(C=C2)N |
| InChIKey | QEXXBPULLZZTNT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl 3-(4-aminophenyl)propanoate (CAS 269072-33-5), with molecular formula C16H17NO2 and molecular weight 255.13 g/mol. IUPAC: benzyl 3-(4-aminophenyl)propanoate.
Chemical Property Profile of Benzyl 3-(4-aminophenyl)propanoate
Property Insights of Benzyl 3-(4-aminophenyl)propanoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 3-(4-aminophenyl)propanoate. With a topological polar surface area (TPSA) of 52.3 Ų, Benzyl 3-(4-aminophenyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 3-(4-aminophenyl)propanoate 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 Benzyl 3-(4-aminophenyl)propanoate?
The CAS number of Benzyl 3-(4-aminophenyl)propanoate is 269072-33-5.
What is the molecular formula of Benzyl 3-(4-aminophenyl)propanoate?
The molecular formula of Benzyl 3-(4-aminophenyl)propanoate is C16H17NO2.
What is the molecular weight of Benzyl 3-(4-aminophenyl)propanoate?
The molecular weight of Benzyl 3-(4-aminophenyl)propanoate is 255.13 g/mol.
Where can I buy Benzyl 3-(4-aminophenyl)propanoate?
You can request a quote for Benzyl 3-(4-aminophenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 3-(4-aminophenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 3-(4-aminophenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.