4-Bromo-3-chloroaniline
TL;DR: 4-Bromo-3-chloroaniline (CAS 21402-26-6) is a chemical compound with molecular formula C6H5BrClN and molecular weight 204.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-3-chloroaniline
Also Known As: 4-Bromo-3-chloroaniline, null, Benzenamine, 4-bromo-3-chloro-, 3-CHLORO-4-BROMOANILINE, 4-bromo-3-chloro-aniline
| Molecular Formula | C6H5BrClN |
|---|---|
| Molecular Weight | 204.93 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.9294 |
| Heavy Atoms | 9 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 21402-26-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1N)Cl)Br |
| InChIKey | QLYHPNUFNZJXOQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromo-3-chloroaniline (CAS 21402-26-6), with molecular formula C6H5BrClN and molecular weight 204.93 g/mol. IUPAC: 4-bromo-3-chloroaniline.
Chemical Property Profile of 4-Bromo-3-chloroaniline
Property Insights of 4-Bromo-3-chloroaniline
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-3-chloroaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 4-Bromo-3-chloroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-3-chloroaniline 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-3-chloroaniline?
The CAS number of 4-Bromo-3-chloroaniline is 21402-26-6.
What is the molecular formula of 4-Bromo-3-chloroaniline?
The molecular formula of 4-Bromo-3-chloroaniline is C6H5BrClN.
What is the molecular weight of 4-Bromo-3-chloroaniline?
The molecular weight of 4-Bromo-3-chloroaniline is 204.93 g/mol.
Where can I buy 4-Bromo-3-chloroaniline?
You can request a quote for 4-Bromo-3-chloroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-3-chloroaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-3-chloroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.