4-Bromo-2-methylaniline
TL;DR: 4-Bromo-2-methylaniline (CAS 583-75-5) is a chemical compound with molecular formula C7H8BrN and molecular weight 184.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2-methylaniline
Also Known As: 4-Bromo-2-methylaniline, 2-Amino-5-bromotoluene, 4-Bromo-o-toluidine, 2-Methyl-4-bromoaniline, Benzenamine, 4-bromo-2-methyl-
| Molecular Formula | C7H8BrN |
|---|---|
| Molecular Weight | 184.98 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 184.98401 |
| Heavy Atoms | 9 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 583-75-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Br)N |
| InChIKey | PCHYYOCUCGCSBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromo-2-methylaniline (CAS 583-75-5), with molecular formula C7H8BrN and molecular weight 184.98 g/mol. IUPAC: 4-bromo-2-methylaniline.
Chemical Property Profile of 4-Bromo-2-methylaniline
Property Insights of 4-Bromo-2-methylaniline
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-2-methylaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 4-Bromo-2-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2-methylaniline 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-Bromo-2-methylaniline?
The CAS number of 4-Bromo-2-methylaniline is 583-75-5.
What is the molecular formula of 4-Bromo-2-methylaniline?
The molecular formula of 4-Bromo-2-methylaniline is C7H8BrN.
What is the molecular weight of 4-Bromo-2-methylaniline?
The molecular weight of 4-Bromo-2-methylaniline is 184.98 g/mol.
Where can I buy 4-Bromo-2-methylaniline?
You can request a quote for 4-Bromo-2-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.