N-(tert-Butoxycarbonyl)-2-ethylaniline
TL;DR: N-(tert-Butoxycarbonyl)-2-ethylaniline (CAS 110969-45-4) is a chemical compound with molecular formula C13H19NO2 and molecular weight 221.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(2-ethylphenyl)carbamate
Also Known As: N-(tert-Butoxycarbonyl)-2-ethylaniline, t-Boc-2-Ethylaniline, Tert-butyl N-(2-ethylphenyl)carbamate, tert-butylN-(2-ethylphenyl)carbamate, tert-Butyl (2-ethylphenyl)carbamate
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 3.596 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 366.4405 |
Chemical Identifiers
| CAS Number | 110969-45-4 |
|---|---|
| SMILES | CCC1=CC=CC=C1NC(=O)OC(C)(C)C |
Product Overview
N-(tert-Butoxycarbonyl)-2-ethylaniline (CAS 110969-45-4), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: tert-butyl N-(2-ethylphenyl)carbamate.
Chemical Property Profile of N-(tert-Butoxycarbonyl)-2-ethylaniline
Property Insights of N-(tert-Butoxycarbonyl)-2-ethylaniline
The XLogP value of 3.596 indicates that N-(tert-Butoxycarbonyl)-2-ethylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, N-(tert-Butoxycarbonyl)-2-ethylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(tert-Butoxycarbonyl)-2-ethylaniline 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 N-(tert-Butoxycarbonyl)-2-ethylaniline?
The CAS number of N-(tert-Butoxycarbonyl)-2-ethylaniline is 110969-45-4.
What is the molecular formula of N-(tert-Butoxycarbonyl)-2-ethylaniline?
The molecular formula of N-(tert-Butoxycarbonyl)-2-ethylaniline is C13H19NO2.
What is the molecular weight of N-(tert-Butoxycarbonyl)-2-ethylaniline?
The molecular weight of N-(tert-Butoxycarbonyl)-2-ethylaniline is 221.14 g/mol.
Where can I buy N-(tert-Butoxycarbonyl)-2-ethylaniline?
You can request a quote for N-(tert-Butoxycarbonyl)-2-ethylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(tert-Butoxycarbonyl)-2-ethylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(tert-Butoxycarbonyl)-2-ethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.