3-Bromo-4-(tert-butyl)aniline
TL;DR: 3-Bromo-4-(tert-butyl)aniline (CAS 103275-21-4) is a chemical compound with molecular formula C10H14BrN and molecular weight 227.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-tert-butylaniline
Also Known As: 3-Bromo-4-(tert-butyl)aniline, 3-bromo-4-tert-butylaniline, 3-bromo-4-tert-butylphenylamine, 3-bromo-4-tert-butyl-aniline, 4-(tert-butyl)-3-bromophenylamine
| Molecular Formula | C10H14BrN |
|---|---|
| Molecular Weight | 227.03 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.03096 |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 103275-21-4 |
|---|---|
| SMILES | CC(C)(C)C1=C(C=C(C=C1)N)Br |
| InChIKey | AXNHKDCJNXKFFT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromo-4-(tert-butyl)aniline (CAS 103275-21-4), with molecular formula C10H14BrN and molecular weight 227.03 g/mol. IUPAC: 3-bromo-4-tert-butylaniline.
Chemical Property Profile of 3-Bromo-4-(tert-butyl)aniline
Property Insights of 3-Bromo-4-(tert-butyl)aniline
The XLogP value of 3.6 indicates that 3-Bromo-4-(tert-butyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 3-Bromo-4-(tert-butyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-4-(tert-butyl)aniline has 1 hydrogen bond donor(s) and 1 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-Bromo-4-(tert-butyl)aniline?
The CAS number of 3-Bromo-4-(tert-butyl)aniline is 103275-21-4.
What is the molecular formula of 3-Bromo-4-(tert-butyl)aniline?
The molecular formula of 3-Bromo-4-(tert-butyl)aniline is C10H14BrN.
What is the molecular weight of 3-Bromo-4-(tert-butyl)aniline?
The molecular weight of 3-Bromo-4-(tert-butyl)aniline is 227.03 g/mol.
Where can I buy 3-Bromo-4-(tert-butyl)aniline?
You can request a quote for 3-Bromo-4-(tert-butyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-4-(tert-butyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4-(tert-butyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.