2-Bromo-3,5-difluoroaniline
TL;DR: 2-Bromo-3,5-difluoroaniline (CAS 500357-40-4) is a chemical compound with molecular formula C6H4BrF2N and molecular weight 206.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-3,5-difluoroaniline
Also Known As: 2-bromo-3,5-difluoroaniline, Benzenamine, 2-bromo-3,5-difluoro-, 4-Bromo-3,5-difluoroaniline, 2-bromo-3,5-difluoro-aniline, 2-Bromo-3,5-difluorobenzenamine
| Molecular Formula | C6H4BrF2N |
|---|---|
| Molecular Weight | 206.95 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 206.94952 |
| Heavy Atoms | 10 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 500357-40-4 |
|---|---|
| SMILES | C1=C(C=C(C(=C1N)Br)F)F |
| InChIKey | LNRJKFKNFNIMTM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-3,5-difluoroaniline (CAS 500357-40-4), with molecular formula C6H4BrF2N and molecular weight 206.95 g/mol. IUPAC: 2-bromo-3,5-difluoroaniline.
Chemical Property Profile of 2-Bromo-3,5-difluoroaniline
Property Insights of 2-Bromo-3,5-difluoroaniline
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-3,5-difluoroaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 2-Bromo-3,5-difluoroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-3,5-difluoroaniline has 1 hydrogen bond donor(s) and 3 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-3,5-difluoroaniline?
The CAS number of 2-Bromo-3,5-difluoroaniline is 500357-40-4.
What is the molecular formula of 2-Bromo-3,5-difluoroaniline?
The molecular formula of 2-Bromo-3,5-difluoroaniline is C6H4BrF2N.
What is the molecular weight of 2-Bromo-3,5-difluoroaniline?
The molecular weight of 2-Bromo-3,5-difluoroaniline is 206.95 g/mol.
Where can I buy 2-Bromo-3,5-difluoroaniline?
You can request a quote for 2-Bromo-3,5-difluoroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-3,5-difluoroaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-3,5-difluoroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.