4-Fluoro-2-nitro-N-methylaniline
TL;DR: 4-Fluoro-2-nitro-N-methylaniline (CAS 704-05-2) is a chemical compound with molecular formula C7H7FN2O2 and molecular weight 170.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-N-methyl-2-nitroaniline
Also Known As: 4-Fluoro-2-nitro-N-methylaniline, 4-fluoro-N-methyl-2-nitroaniline, N-Methyl-4-fluoro-2-nitroaniline, Benzenamine, 4-fluoro-N-methyl-2-nitro-, 4-fluoro-N-methyl-2-nitro-aniline
| Molecular Formula | C7H7FN2O2 |
|---|---|
| Molecular Weight | 170.05 g/mol |
| LogP | 1.7756 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.04915 |
| Heavy Atoms | 12 |
| Complexity | 314.27472 |
Chemical Identifiers
| CAS Number | 704-05-2 |
|---|---|
| SMILES | CNC1=C(C=C(C=C1)F)[N+](=O)[O-] |
Product Overview
4-Fluoro-2-nitro-N-methylaniline (CAS 704-05-2), with molecular formula C7H7FN2O2 and molecular weight 170.05 g/mol. IUPAC: 4-fluoro-N-methyl-2-nitroaniline.
Chemical Property Profile of 4-Fluoro-2-nitro-N-methylaniline
Property Insights of 4-Fluoro-2-nitro-N-methylaniline
The XLogP value of 1.7756 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluoro-2-nitro-N-methylaniline. With a topological polar surface area (TPSA) of 55.17 Ų, 4-Fluoro-2-nitro-N-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluoro-2-nitro-N-methylaniline 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 4-Fluoro-2-nitro-N-methylaniline?
The CAS number of 4-Fluoro-2-nitro-N-methylaniline is 704-05-2.
What is the molecular formula of 4-Fluoro-2-nitro-N-methylaniline?
The molecular formula of 4-Fluoro-2-nitro-N-methylaniline is C7H7FN2O2.
What is the molecular weight of 4-Fluoro-2-nitro-N-methylaniline?
The molecular weight of 4-Fluoro-2-nitro-N-methylaniline is 170.05 g/mol.
Where can I buy 4-Fluoro-2-nitro-N-methylaniline?
You can request a quote for 4-Fluoro-2-nitro-N-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluoro-2-nitro-N-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluoro-2-nitro-N-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.