4-Pentylaniline
TL;DR: 4-Pentylaniline (CAS 33228-44-3) is a chemical compound with molecular formula C11H17N and molecular weight 163.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-pentylaniline
Also Known As: 4-Pentylaniline, Benzenamine, 4-pentyl-, 4-Amylaniline, p-Pentylaniline, p-Amylaniline
| Molecular Formula | C11H17N |
|---|---|
| Molecular Weight | 163.14 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 163.1361 |
| Heavy Atoms | 12 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 33228-44-3 |
|---|---|
| SMILES | CCCCCC1=CC=C(C=C1)N |
| InChIKey | DGFTWBUZRHAHTH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Pentylaniline (CAS 33228-44-3), with molecular formula C11H17N and molecular weight 163.14 g/mol. IUPAC: 4-pentylaniline.
Chemical Property Profile of 4-Pentylaniline
Property Insights of 4-Pentylaniline
The XLogP value of 3.4 indicates that 4-Pentylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 4-Pentylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pentylaniline has 1 hydrogen bond donor(s) and 1 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 4-Pentylaniline?
The CAS number of 4-Pentylaniline is 33228-44-3.
What is the molecular formula of 4-Pentylaniline?
The molecular formula of 4-Pentylaniline is C11H17N.
What is the molecular weight of 4-Pentylaniline?
The molecular weight of 4-Pentylaniline is 163.14 g/mol.
Where can I buy 4-Pentylaniline?
You can request a quote for 4-Pentylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pentylaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Pentylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.