3-Fluoro-4-methylaniline
TL;DR: 3-Fluoro-4-methylaniline (CAS 452-77-7) 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.
3-fluoro-4-methylaniline
Also Known As: 3-Fluoro-4-methylaniline, 3-Fluoro-p-toluidine, 4-Amino-2-fluorotoluene, 2-Fluoro-4-aminotoluene, Benzenamine, 3-fluoro-4-methyl-
| Molecular Formula | C7H8FN |
|---|---|
| Molecular Weight | 125.06 g/mol |
| LogP | 0.9 |
| 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 | 452-77-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N)F |
| InChIKey | MGRHBBRSAFPBIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Fluoro-4-methylaniline (CAS 452-77-7), with molecular formula C7H8FN and molecular weight 125.06 g/mol. IUPAC: 3-fluoro-4-methylaniline.
Chemical Property Profile of 3-Fluoro-4-methylaniline
Property Insights of 3-Fluoro-4-methylaniline
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluoro-4-methylaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 3-Fluoro-4-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-Fluoro-4-methylaniline?
The CAS number of 3-Fluoro-4-methylaniline is 452-77-7.
What is the molecular formula of 3-Fluoro-4-methylaniline?
The molecular formula of 3-Fluoro-4-methylaniline is C7H8FN.
What is the molecular weight of 3-Fluoro-4-methylaniline?
The molecular weight of 3-Fluoro-4-methylaniline is 125.06 g/mol.
Where can I buy 3-Fluoro-4-methylaniline?
You can request a quote for 3-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 3-Fluoro-4-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluoro-4-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.