N-benzyl-4-ethoxyaniline
TL;DR: N-benzyl-4-ethoxyaniline (CAS 72753-31-2) is a chemical compound with molecular formula C15H17NO and molecular weight 227.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-4-ethoxyaniline
Also Known As: N-benzyl-4-ethoxyaniline, BENZYL-(4-ETHOXY-PHENYL)-AMINE, N-benzyl-4-ethoxy-aniline, BENZYL- -AMINE, (4-ethoxyphenyl)benzylamine
| Molecular Formula | C15H17NO |
|---|---|
| Molecular Weight | 227.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 21.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 227.13101 |
| Heavy Atoms | 17 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 72753-31-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NCC2=CC=CC=C2 |
| InChIKey | ZAUVBVZMMZMKSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-benzyl-4-ethoxyaniline (CAS 72753-31-2), with molecular formula C15H17NO and molecular weight 227.13 g/mol. IUPAC: N-benzyl-4-ethoxyaniline.
Chemical Property Profile of N-benzyl-4-ethoxyaniline
Property Insights of N-benzyl-4-ethoxyaniline
The XLogP value of 3.5 indicates that N-benzyl-4-ethoxyaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.3 Ų, N-benzyl-4-ethoxyaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-4-ethoxyaniline has 1 hydrogen bond donor(s) and 2 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 N-benzyl-4-ethoxyaniline?
The CAS number of N-benzyl-4-ethoxyaniline is 72753-31-2.
What is the molecular formula of N-benzyl-4-ethoxyaniline?
The molecular formula of N-benzyl-4-ethoxyaniline is C15H17NO.
What is the molecular weight of N-benzyl-4-ethoxyaniline?
The molecular weight of N-benzyl-4-ethoxyaniline is 227.13 g/mol.
Where can I buy N-benzyl-4-ethoxyaniline?
You can request a quote for N-benzyl-4-ethoxyaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-4-ethoxyaniline?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-4-ethoxyaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.