3-(Methoxymethyl)-4-octoxyaniline
TL;DR: 3-(Methoxymethyl)-4-octoxyaniline (CAS 5804-04-6) is a chemical compound with molecular formula C16H27NO2 and molecular weight 265.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(methoxymethyl)-4-octoxyaniline
Also Known As: 3-(methoxymethyl)-4-octoxyaniline, 3-(methoxymethyl)-4-octoxy-aniline, Benzenamine, 3-(methoxymethyl)-4-(octyloxy)-
| Molecular Formula | C16H27NO2 |
|---|---|
| Molecular Weight | 265.20 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 265.2042 |
| Heavy Atoms | 19 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 5804-04-6 |
|---|---|
| SMILES | CCCCCCCCOC1=C(C=C(C=C1)N)COC |
| InChIKey | PEBCCSSRBPJEIA-UHFFFAOYSA-N |
Product Overview
3-(Methoxymethyl)-4-octoxyaniline (CAS 5804-04-6), with molecular formula C16H27NO2 and molecular weight 265.20 g/mol. IUPAC: 3-(methoxymethyl)-4-octoxyaniline.
Chemical Property Profile of 3-(Methoxymethyl)-4-octoxyaniline
Property Insights of 3-(Methoxymethyl)-4-octoxyaniline
The XLogP value of 4.3 indicates that 3-(Methoxymethyl)-4-octoxyaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.5 Ų, 3-(Methoxymethyl)-4-octoxyaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Methoxymethyl)-4-octoxyaniline has 1 hydrogen bond donor(s) and 3 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-(Methoxymethyl)-4-octoxyaniline?
The CAS number of 3-(Methoxymethyl)-4-octoxyaniline is 5804-04-6.
What is the molecular formula of 3-(Methoxymethyl)-4-octoxyaniline?
The molecular formula of 3-(Methoxymethyl)-4-octoxyaniline is C16H27NO2.
What is the molecular weight of 3-(Methoxymethyl)-4-octoxyaniline?
The molecular weight of 3-(Methoxymethyl)-4-octoxyaniline is 265.20 g/mol.
Where can I buy 3-(Methoxymethyl)-4-octoxyaniline?
You can request a quote for 3-(Methoxymethyl)-4-octoxyaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Methoxymethyl)-4-octoxyaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methoxymethyl)-4-octoxyaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.