2-Bromo-3,4,6-trimethylaniline
TL;DR: 2-Bromo-3,4,6-trimethylaniline (CAS 31253-48-2) is a chemical compound with molecular formula C9H12BrN and molecular weight 213.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-3,4,6-trimethylaniline
Also Known As: 2-bromo-3,4,6-trimethylaniline, Benzenamine,2-bromo-3,4,6-trimethyl-, 2-Brom-3,4,6-trimethyl-anilin, 2-Bromo-3,4,6-trimethylbenzenamine, Benzenamine, 2-bromo-3,4,6-trimethyl-
| Molecular Formula | C9H12BrN |
|---|---|
| Molecular Weight | 213.02 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 213.0153 |
| Heavy Atoms | 11 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 31253-48-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C)Br)N)C |
| InChIKey | UMIDFBDPMOPWDY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-3,4,6-trimethylaniline (CAS 31253-48-2), with molecular formula C9H12BrN and molecular weight 213.02 g/mol. IUPAC: 2-bromo-3,4,6-trimethylaniline.
Chemical Property Profile of 2-Bromo-3,4,6-trimethylaniline
Property Insights of 2-Bromo-3,4,6-trimethylaniline
The XLogP value of 3.0 indicates that 2-Bromo-3,4,6-trimethylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 2-Bromo-3,4,6-trimethylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-3,4,6-trimethylaniline 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 2-Bromo-3,4,6-trimethylaniline?
The CAS number of 2-Bromo-3,4,6-trimethylaniline is 31253-48-2.
What is the molecular formula of 2-Bromo-3,4,6-trimethylaniline?
The molecular formula of 2-Bromo-3,4,6-trimethylaniline is C9H12BrN.
What is the molecular weight of 2-Bromo-3,4,6-trimethylaniline?
The molecular weight of 2-Bromo-3,4,6-trimethylaniline is 213.02 g/mol.
Where can I buy 2-Bromo-3,4,6-trimethylaniline?
You can request a quote for 2-Bromo-3,4,6-trimethylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-3,4,6-trimethylaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-3,4,6-trimethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.