2-Bromo-4-isopropylaniline
TL;DR: 2-Bromo-4-isopropylaniline (CAS 51605-97-1) 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-4-propan-2-ylaniline
Also Known As: 2-Bromo-4-isopropylaniline, zlchem 981, 2-bromo-4-propan-2-ylaniline, 2-bromo-4-isopropyl-phenylamine, 2-bromo-4-(propan-2-yl)aniline
| Molecular Formula | C9H12BrN |
|---|---|
| Molecular Weight | 213.02 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.0153 |
| Heavy Atoms | 11 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 51605-97-1 |
|---|---|
| SMILES | CC(C)C1=CC(=C(C=C1)N)Br |
| InChIKey | WEMDUNBELVTSRP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-4-isopropylaniline (CAS 51605-97-1), with molecular formula C9H12BrN and molecular weight 213.02 g/mol. IUPAC: 2-bromo-4-propan-2-ylaniline.
Chemical Property Profile of 2-Bromo-4-isopropylaniline
Property Insights of 2-Bromo-4-isopropylaniline
The XLogP value of 3.1 indicates that 2-Bromo-4-isopropylaniline 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-4-isopropylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-4-isopropylaniline 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-4-isopropylaniline?
The CAS number of 2-Bromo-4-isopropylaniline is 51605-97-1.
What is the molecular formula of 2-Bromo-4-isopropylaniline?
The molecular formula of 2-Bromo-4-isopropylaniline is C9H12BrN.
What is the molecular weight of 2-Bromo-4-isopropylaniline?
The molecular weight of 2-Bromo-4-isopropylaniline is 213.02 g/mol.
Where can I buy 2-Bromo-4-isopropylaniline?
You can request a quote for 2-Bromo-4-isopropylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-4-isopropylaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4-isopropylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.