p-Heptyloxyaniline
TL;DR: p-Heptyloxyaniline (CAS 661-82-5) is a chemical compound with molecular formula C13H21NO and molecular weight 207.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-heptoxyaniline
Also Known As: 4-Heptyloxyaniline, 4-(Heptyloxy)aniline, p-Heptyloxyaniline, 4-heptoxyaniline, 4-n-Heptyloxyaniline
| Molecular Formula | C13H21NO |
|---|---|
| Molecular Weight | 207.16 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 207.16231 |
| Heavy Atoms | 15 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 661-82-5 |
|---|---|
| SMILES | CCCCCCCOC1=CC=C(C=C1)N |
| InChIKey | LTGYTOOKQWFTQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Heptyloxyaniline (CAS 661-82-5), with molecular formula C13H21NO and molecular weight 207.16 g/mol. IUPAC: 4-heptoxyaniline.
Chemical Property Profile of p-Heptyloxyaniline
Property Insights of p-Heptyloxyaniline
The XLogP value of 4.2 indicates that p-Heptyloxyaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.3 Ų, p-Heptyloxyaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Heptyloxyaniline 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 p-Heptyloxyaniline?
The CAS number of p-Heptyloxyaniline is 661-82-5.
What is the molecular formula of p-Heptyloxyaniline?
The molecular formula of p-Heptyloxyaniline is C13H21NO.
What is the molecular weight of p-Heptyloxyaniline?
The molecular weight of p-Heptyloxyaniline is 207.16 g/mol.
Where can I buy p-Heptyloxyaniline?
You can request a quote for p-Heptyloxyaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Heptyloxyaniline?
Yes, KEHONG BIO provides custom synthesis services for p-Heptyloxyaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.