4-(2-Bromoethyl)aniline
TL;DR: 4-(2-Bromoethyl)aniline (CAS 39232-03-6) is a chemical compound with molecular formula C8H10BrN and molecular weight 199.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-bromoethyl)aniline
Also Known As: 4-(2-Bromoethyl)aniline, 1-(4-Aminophenyl)-2-bromoethane, 4- ANILINE, Benzenamine, 4-(2-bromoethyl)-, 4-(2-bromo-ethyl)-aniline
| Molecular Formula | C8H10BrN |
|---|---|
| Molecular Weight | 199.00 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.99966 |
| Heavy Atoms | 10 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 39232-03-6 |
|---|---|
| SMILES | C1=CC(=CC=C1CCBr)N |
| InChIKey | WNPSMKHXUKDOBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2-Bromoethyl)aniline (CAS 39232-03-6), with molecular formula C8H10BrN and molecular weight 199.00 g/mol. IUPAC: 4-(2-bromoethyl)aniline.
Chemical Property Profile of 4-(2-Bromoethyl)aniline
Property Insights of 4-(2-Bromoethyl)aniline
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Bromoethyl)aniline. With a topological polar surface area (TPSA) of 26.0 Ų, 4-(2-Bromoethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Bromoethyl)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 4-(2-Bromoethyl)aniline?
The CAS number of 4-(2-Bromoethyl)aniline is 39232-03-6.
What is the molecular formula of 4-(2-Bromoethyl)aniline?
The molecular formula of 4-(2-Bromoethyl)aniline is C8H10BrN.
What is the molecular weight of 4-(2-Bromoethyl)aniline?
The molecular weight of 4-(2-Bromoethyl)aniline is 199.00 g/mol.
Where can I buy 4-(2-Bromoethyl)aniline?
You can request a quote for 4-(2-Bromoethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Bromoethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Bromoethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.