Boc-2,4,6-trimethylaniline
TL;DR: Boc-2,4,6-trimethylaniline (CAS 56700-69-7) is a chemical compound with molecular formula C14H21NO2 and molecular weight 235.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(2,4,6-trimethylphenyl)carbamate
Also Known As: boc-2,4,6-trimethylaniline, tert-butyl N-(2,4,6-trimethylphenyl)carbamate, N-(Boc)-2,4,6-trimethylaniline, Mesitylcarbamic acid tert-butyl ester, N-Mesitylcarbamic acid tert-butyl ester
| Molecular Formula | C14H21NO2 |
|---|---|
| Molecular Weight | 235.16 g/mol |
| LogP | 3.95886 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.15723 |
| Heavy Atoms | 17 |
| Complexity | 407.33374 |
Chemical Identifiers
| CAS Number | 56700-69-7 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC(=O)OC(C)(C)C)C |
Product Overview
Boc-2,4,6-trimethylaniline (CAS 56700-69-7), with molecular formula C14H21NO2 and molecular weight 235.16 g/mol. IUPAC: tert-butyl N-(2,4,6-trimethylphenyl)carbamate.
Chemical Property Profile of Boc-2,4,6-trimethylaniline
Property Insights of Boc-2,4,6-trimethylaniline
The XLogP value of 3.95886 indicates that Boc-2,4,6-trimethylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, Boc-2,4,6-trimethylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Boc-2,4,6-trimethylaniline 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 Boc-2,4,6-trimethylaniline?
The CAS number of Boc-2,4,6-trimethylaniline is 56700-69-7.
What is the molecular formula of Boc-2,4,6-trimethylaniline?
The molecular formula of Boc-2,4,6-trimethylaniline is C14H21NO2.
What is the molecular weight of Boc-2,4,6-trimethylaniline?
The molecular weight of Boc-2,4,6-trimethylaniline is 235.16 g/mol.
Where can I buy Boc-2,4,6-trimethylaniline?
You can request a quote for Boc-2,4,6-trimethylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Boc-2,4,6-trimethylaniline?
Yes, KEHONG BIO provides custom synthesis services for Boc-2,4,6-trimethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.