3-Benzyloxy-4-butylaniline
TL;DR: 3-Benzyloxy-4-butylaniline (CAS 554-34-7) is a chemical compound with molecular formula C17H21NO and molecular weight 255.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butyl-3-phenylmethoxyaniline
Also Known As: 3-BENZYLOXY-4-BUTYLANILINE, 3-(Benzyloxy)-4-butylaniline, 4-butyl-3-phenylmethoxyaniline, 3-(Benzyloxy)-4-butylaniline #, 4-Butyl-3-(phenylmethoxy)benzenamine
| Molecular Formula | C17H21NO |
|---|---|
| Molecular Weight | 255.16 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 255.16231 |
| Heavy Atoms | 19 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 554-34-7 |
|---|---|
| SMILES | CCCCC1=C(C=C(C=C1)N)OCC2=CC=CC=C2 |
| InChIKey | FZBHVMVKTREEEM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Benzyloxy-4-butylaniline (CAS 554-34-7), with molecular formula C17H21NO and molecular weight 255.16 g/mol. IUPAC: 4-butyl-3-phenylmethoxyaniline.
Chemical Property Profile of 3-Benzyloxy-4-butylaniline
Property Insights of 3-Benzyloxy-4-butylaniline
The XLogP value of 4.6 indicates that 3-Benzyloxy-4-butylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.3 Ų, 3-Benzyloxy-4-butylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyloxy-4-butylaniline 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 3-Benzyloxy-4-butylaniline?
The CAS number of 3-Benzyloxy-4-butylaniline is 554-34-7.
What is the molecular formula of 3-Benzyloxy-4-butylaniline?
The molecular formula of 3-Benzyloxy-4-butylaniline is C17H21NO.
What is the molecular weight of 3-Benzyloxy-4-butylaniline?
The molecular weight of 3-Benzyloxy-4-butylaniline is 255.16 g/mol.
Where can I buy 3-Benzyloxy-4-butylaniline?
You can request a quote for 3-Benzyloxy-4-butylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyloxy-4-butylaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyloxy-4-butylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.