3-fluoro-N-phenylaniline
TL;DR: 3-fluoro-N-phenylaniline (CAS 500-41-4) is a chemical compound with molecular formula C12H10FN and molecular weight 187.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluoro-N-phenylaniline
Also Known As: 3-Fluorodiphenylamine, 3-fluoro-N-phenylaniline, 3-fluorophenylaniline, N-(3-Fluorophenyl)aniline, N-Phenyl-3-fluoroaniline
| Molecular Formula | C12H10FN |
|---|---|
| Molecular Weight | 187.08 g/mol |
| LogP | 3.5693 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.07973 |
| Heavy Atoms | 14 |
| Complexity | 411.67673 |
Chemical Identifiers
| CAS Number | 500-41-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=CC(=CC=C2)F |
Product Overview
3-fluoro-N-phenylaniline (CAS 500-41-4), with molecular formula C12H10FN and molecular weight 187.08 g/mol. IUPAC: 3-fluoro-N-phenylaniline.
Chemical Property Profile of 3-fluoro-N-phenylaniline
Property Insights of 3-fluoro-N-phenylaniline
The XLogP value of 3.5693 indicates that 3-fluoro-N-phenylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, 3-fluoro-N-phenylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-fluoro-N-phenylaniline has 1 hydrogen bond donor(s) and 1 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-N-phenylaniline?
The CAS number of 3-fluoro-N-phenylaniline is 500-41-4.
What is the molecular formula of 3-fluoro-N-phenylaniline?
The molecular formula of 3-fluoro-N-phenylaniline is C12H10FN.
What is the molecular weight of 3-fluoro-N-phenylaniline?
The molecular weight of 3-fluoro-N-phenylaniline is 187.08 g/mol.
Where can I buy 3-fluoro-N-phenylaniline?
You can request a quote for 3-fluoro-N-phenylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-fluoro-N-phenylaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-fluoro-N-phenylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.