2-Fluoro-4-methylaniline
TL;DR: 2-Fluoro-4-methylaniline (CAS 452-80-2) is a chemical compound with molecular formula C7H8FN and molecular weight 125.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-4-methylaniline
Also Known As: 2-Fluoro-4-methylaniline, 2-fluoro-4-methyaniline, 2-Fluoro-p-toluidine, 4-Amino-3-fluorotoluene, p-Toluidine, 2-fluoro-
| Molecular Formula | C7H8FN |
|---|---|
| Molecular Weight | 125.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 125.06408 |
| Heavy Atoms | 9 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 452-80-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N)F |
| InChIKey | ZQEXBVHABAJPHJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Fluoro-4-methylaniline (CAS 452-80-2), with molecular formula C7H8FN and molecular weight 125.06 g/mol. IUPAC: 2-fluoro-4-methylaniline.
Chemical Property Profile of 2-Fluoro-4-methylaniline
Property Insights of 2-Fluoro-4-methylaniline
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluoro-4-methylaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 2-Fluoro-4-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-4-methylaniline has 1 hydrogen bond donor(s) and 2 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-Fluoro-4-methylaniline?
The CAS number of 2-Fluoro-4-methylaniline is 452-80-2.
What is the molecular formula of 2-Fluoro-4-methylaniline?
The molecular formula of 2-Fluoro-4-methylaniline is C7H8FN.
What is the molecular weight of 2-Fluoro-4-methylaniline?
The molecular weight of 2-Fluoro-4-methylaniline is 125.06 g/mol.
Where can I buy 2-Fluoro-4-methylaniline?
You can request a quote for 2-Fluoro-4-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoro-4-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-4-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.