N-(tert-Butoxycarbonyl)-3-bromoaniline
TL;DR: N-(tert-Butoxycarbonyl)-3-bromoaniline (CAS 25217-01-0) is a chemical compound with molecular formula C11H14BrNO2 and molecular weight 271.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(3-bromophenyl)carbamate
Also Known As: tert-butyl N-(3-bromophenyl)carbamate, N-(tert-Butoxycarbonyl)-3-bromoaniline, tert-Butyl (3-bromophenyl)carbamate, N-Boc 3-bromoaniline, N-Boc-3-bromoaniline
| Molecular Formula | C11H14BrNO2 |
|---|---|
| Molecular Weight | 271.02 g/mol |
| LogP | 3.7961 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 271.02078 |
| Heavy Atoms | 15 |
| Complexity | 357.8507 |
Chemical Identifiers
| CAS Number | 25217-01-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=CC(=CC=C1)Br |
Product Overview
N-(tert-Butoxycarbonyl)-3-bromoaniline (CAS 25217-01-0), with molecular formula C11H14BrNO2 and molecular weight 271.02 g/mol. IUPAC: tert-butyl N-(3-bromophenyl)carbamate.
Chemical Property Profile of N-(tert-Butoxycarbonyl)-3-bromoaniline
Property Insights of N-(tert-Butoxycarbonyl)-3-bromoaniline
The XLogP value of 3.7961 indicates that N-(tert-Butoxycarbonyl)-3-bromoaniline 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)-3-bromoaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(tert-Butoxycarbonyl)-3-bromoaniline 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)-3-bromoaniline?
The CAS number of N-(tert-Butoxycarbonyl)-3-bromoaniline is 25217-01-0.
What is the molecular formula of N-(tert-Butoxycarbonyl)-3-bromoaniline?
The molecular formula of N-(tert-Butoxycarbonyl)-3-bromoaniline is C11H14BrNO2.
What is the molecular weight of N-(tert-Butoxycarbonyl)-3-bromoaniline?
The molecular weight of N-(tert-Butoxycarbonyl)-3-bromoaniline is 271.02 g/mol.
Where can I buy N-(tert-Butoxycarbonyl)-3-bromoaniline?
You can request a quote for N-(tert-Butoxycarbonyl)-3-bromoaniline 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)-3-bromoaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(tert-Butoxycarbonyl)-3-bromoaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.