4-Hexyloxyaniline
TL;DR: 4-Hexyloxyaniline (CAS 39905-57-2) is a chemical compound with molecular formula C12H19NO and molecular weight 193.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hexoxyaniline
Also Known As: 4-(Hexyloxy)aniline, 4-Hexyloxyaniline, p-Hexyloxyaniline, 4-hexoxyaniline, Benzenamine, 4-(hexyloxy)-
| Molecular Formula | C12H19NO |
|---|---|
| Molecular Weight | 193.15 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 193.14667 |
| Heavy Atoms | 14 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 39905-57-2 |
|---|---|
| SMILES | CCCCCCOC1=CC=C(C=C1)N |
| InChIKey | DJRKHTCUXRGYEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hexyloxyaniline (CAS 39905-57-2), with molecular formula C12H19NO and molecular weight 193.15 g/mol. IUPAC: 4-hexoxyaniline.
Chemical Property Profile of 4-Hexyloxyaniline
Property Insights of 4-Hexyloxyaniline
The XLogP value of 3.7 indicates that 4-Hexyloxyaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.3 Ų, 4-Hexyloxyaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hexyloxyaniline 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 4-Hexyloxyaniline?
The CAS number of 4-Hexyloxyaniline is 39905-57-2.
What is the molecular formula of 4-Hexyloxyaniline?
The molecular formula of 4-Hexyloxyaniline is C12H19NO.
What is the molecular weight of 4-Hexyloxyaniline?
The molecular weight of 4-Hexyloxyaniline is 193.15 g/mol.
Where can I buy 4-Hexyloxyaniline?
You can request a quote for 4-Hexyloxyaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hexyloxyaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Hexyloxyaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.