2,3-Difluoroaniline
TL;DR: 2,3-Difluoroaniline (CAS 4519-40-8) is a chemical compound with molecular formula C6H5F2N and molecular weight 129.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-difluoroaniline
Also Known As: 2,3-Difluoroaniline, 2,3-difluorobenzenamine, difluoraniline, 2,3-difluorophenylamine, zr bf cf
| Molecular Formula | C6H5F2N |
|---|---|
| Molecular Weight | 129.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 129.039 |
| Heavy Atoms | 9 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 4519-40-8 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)F)F)N |
| InChIKey | YCCQGFYAVUTQFK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Difluoroaniline (CAS 4519-40-8), with molecular formula C6H5F2N and molecular weight 129.04 g/mol. IUPAC: 2,3-difluoroaniline.
Chemical Property Profile of 2,3-Difluoroaniline
Property Insights of 2,3-Difluoroaniline
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Difluoroaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 2,3-Difluoroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-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 2,3-Difluoroaniline?
The CAS number of 2,3-Difluoroaniline is 4519-40-8.
What is the molecular formula of 2,3-Difluoroaniline?
The molecular formula of 2,3-Difluoroaniline is C6H5F2N.
What is the molecular weight of 2,3-Difluoroaniline?
The molecular weight of 2,3-Difluoroaniline is 129.04 g/mol.
Where can I buy 2,3-Difluoroaniline?
You can request a quote for 2,3-Difluoroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Difluoroaniline?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Difluoroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.