4-Octylaniline
TL;DR: 4-Octylaniline (CAS 16245-79-7) is a chemical compound with molecular formula C14H23N and molecular weight 205.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-octylaniline
Also Known As: 4-Octylaniline, 4-n-Octylaniline, p-Octylaniline, Benzenamine, 4-octyl-, 4-Octylphenylamine
| Molecular Formula | C14H23N |
|---|---|
| Molecular Weight | 205.18 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 205.18304 |
| Heavy Atoms | 15 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 16245-79-7 |
|---|---|
| SMILES | CCCCCCCCC1=CC=C(C=C1)N |
| InChIKey | ORKQJTBYQZITLA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Octylaniline (CAS 16245-79-7), with molecular formula C14H23N and molecular weight 205.18 g/mol. IUPAC: 4-octylaniline.
Chemical Property Profile of 4-Octylaniline
Property Insights of 4-Octylaniline
The XLogP value of 5.0 indicates that 4-Octylaniline 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-Octylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Octylaniline 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-Octylaniline?
The CAS number of 4-Octylaniline is 16245-79-7.
What is the molecular formula of 4-Octylaniline?
The molecular formula of 4-Octylaniline is C14H23N.
What is the molecular weight of 4-Octylaniline?
The molecular weight of 4-Octylaniline is 205.18 g/mol.
Where can I buy 4-Octylaniline?
You can request a quote for 4-Octylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Octylaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Octylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.