4-(2,3,6-Trimethylphenoxy)aniline
TL;DR: 4-(2,3,6-Trimethylphenoxy)aniline (CAS 900720-99-2) is a chemical compound with molecular formula C15H17NO and molecular weight 227.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,3,6-trimethylphenoxy)aniline
Also Known As: 4-(2,3,6-trimethylphenoxy)aniline, Benzenamine, 4-(2,3,6-trimethylphenoxy)-
| Molecular Formula | C15H17NO |
|---|---|
| Molecular Weight | 227.13 g/mol |
| LogP | 3.98636 |
| Topological Polar Surface Area | 35.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.13101 |
| Heavy Atoms | 17 |
| Complexity | 529.3632 |
Chemical Identifiers
| CAS Number | 900720-99-2 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C)OC2=CC=C(C=C2)N)C |
Product Overview
4-(2,3,6-Trimethylphenoxy)aniline (CAS 900720-99-2), with molecular formula C15H17NO and molecular weight 227.13 g/mol. IUPAC: 4-(2,3,6-trimethylphenoxy)aniline.
Chemical Property Profile of 4-(2,3,6-Trimethylphenoxy)aniline
Property Insights of 4-(2,3,6-Trimethylphenoxy)aniline
The XLogP value of 3.98636 indicates that 4-(2,3,6-Trimethylphenoxy)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.25 Ų, 4-(2,3,6-Trimethylphenoxy)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,3,6-Trimethylphenoxy)aniline 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-(2,3,6-Trimethylphenoxy)aniline?
The CAS number of 4-(2,3,6-Trimethylphenoxy)aniline is 900720-99-2.
What is the molecular formula of 4-(2,3,6-Trimethylphenoxy)aniline?
The molecular formula of 4-(2,3,6-Trimethylphenoxy)aniline is C15H17NO.
What is the molecular weight of 4-(2,3,6-Trimethylphenoxy)aniline?
The molecular weight of 4-(2,3,6-Trimethylphenoxy)aniline is 227.13 g/mol.
Where can I buy 4-(2,3,6-Trimethylphenoxy)aniline?
You can request a quote for 4-(2,3,6-Trimethylphenoxy)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,3,6-Trimethylphenoxy)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,3,6-Trimethylphenoxy)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.