4-Fluoro-m-toluidine
TL;DR: 4-Fluoro-m-toluidine (CAS 452-69-7) 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.
4-fluoro-3-methylaniline
Also Known As: 4-Fluoro-3-methylaniline, 2-Fluoro-5-aminotoluene, 4-Fluoro-m-toluidine, 5-Amino-2-fluorotoluene, null
| Molecular Formula | C7H8FN |
|---|---|
| Molecular Weight | 125.06 g/mol |
| LogP | 2.3 |
| 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 | 452-69-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N)F |
| InChIKey | NYMDPDNETOLVBS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Fluoro-m-toluidine (CAS 452-69-7), with molecular formula C7H8FN and molecular weight 125.06 g/mol. IUPAC: 4-fluoro-3-methylaniline.
Chemical Property Profile of 4-Fluoro-m-toluidine
Property Insights of 4-Fluoro-m-toluidine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluoro-m-toluidine. With a topological polar surface area (TPSA) of 26.0 Ų, 4-Fluoro-m-toluidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluoro-m-toluidine 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 4-Fluoro-m-toluidine?
The CAS number of 4-Fluoro-m-toluidine is 452-69-7.
What is the molecular formula of 4-Fluoro-m-toluidine?
The molecular formula of 4-Fluoro-m-toluidine is C7H8FN.
What is the molecular weight of 4-Fluoro-m-toluidine?
The molecular weight of 4-Fluoro-m-toluidine is 125.06 g/mol.
Where can I buy 4-Fluoro-m-toluidine?
You can request a quote for 4-Fluoro-m-toluidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluoro-m-toluidine?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluoro-m-toluidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.