4-Bromo-2,6-dichloroaniline
TL;DR: 4-Bromo-2,6-dichloroaniline (CAS 697-88-1) is a chemical compound with molecular formula C6H4BrCl2N and molecular weight 238.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2,6-dichloroaniline
Also Known As: 4-Bromo-2,6-dichloroaniline, 2,6-Dichloro-4-bromoaniline, 4-brom-2,6-dichloranilin, 4-bromo-2,6-dichloro-aniline, 4-bromo-2,6-dichlorophenylamine
| Molecular Formula | C6H4BrCl2N |
|---|---|
| Molecular Weight | 238.89 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 238.89043 |
| Heavy Atoms | 10 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 697-88-1 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Cl)N)Cl)Br |
| InChIKey | NPQBZKNXJZARBJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromo-2,6-dichloroaniline (CAS 697-88-1), with molecular formula C6H4BrCl2N and molecular weight 238.89 g/mol. IUPAC: 4-bromo-2,6-dichloroaniline.
Chemical Property Profile of 4-Bromo-2,6-dichloroaniline
Property Insights of 4-Bromo-2,6-dichloroaniline
The XLogP value of 3.8 indicates that 4-Bromo-2,6-dichloroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 4-Bromo-2,6-dichloroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2,6-dichloroaniline 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-2,6-dichloroaniline?
The CAS number of 4-Bromo-2,6-dichloroaniline is 697-88-1.
What is the molecular formula of 4-Bromo-2,6-dichloroaniline?
The molecular formula of 4-Bromo-2,6-dichloroaniline is C6H4BrCl2N.
What is the molecular weight of 4-Bromo-2,6-dichloroaniline?
The molecular weight of 4-Bromo-2,6-dichloroaniline is 238.89 g/mol.
Where can I buy 4-Bromo-2,6-dichloroaniline?
You can request a quote for 4-Bromo-2,6-dichloroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2,6-dichloroaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2,6-dichloroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.