3-fluoro-2-nitro-N-(3-fluorophenyl)aniline
TL;DR: 3-fluoro-2-nitro-N-(3-fluorophenyl)aniline (CAS 500302-19-2) is a chemical compound with molecular formula C12H8F2N2O2 and molecular weight 250.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluoro-N-(3-fluorophenyl)-2-nitroaniline
Also Known As: NCIOpen2_005787, 3-fluoro-2-nitro-N-(3-fluorophenyl)aniline, 3-fluoro-N-(3-fluorophenyl)-2-nitroaniline, Benzenamine, 3-fluoro-N-(3-fluorophenyl)-2-nitro-, (3-fluoro-2-nitro-phenyl)-(3-fluoro-phenyl)-amine
| Molecular Formula | C12H8F2N2O2 |
|---|---|
| Molecular Weight | 250.06 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.05539 |
| Heavy Atoms | 18 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 500302-19-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)NC2=C(C(=CC=C2)F)[N+](=O)[O-] |
| InChIKey | DGBKEXCCMPDNNQ-UHFFFAOYSA-N |
Product Overview
3-fluoro-2-nitro-N-(3-fluorophenyl)aniline (CAS 500302-19-2), with molecular formula C12H8F2N2O2 and molecular weight 250.06 g/mol. IUPAC: 3-fluoro-N-(3-fluorophenyl)-2-nitroaniline.
Chemical Property Profile of 3-fluoro-2-nitro-N-(3-fluorophenyl)aniline
Property Insights of 3-fluoro-2-nitro-N-(3-fluorophenyl)aniline
The XLogP value of 4.0 indicates that 3-fluoro-2-nitro-N-(3-fluorophenyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, 3-fluoro-2-nitro-N-(3-fluorophenyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-fluoro-2-nitro-N-(3-fluorophenyl)aniline has 1 hydrogen bond donor(s) and 5 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-2-nitro-N-(3-fluorophenyl)aniline?
The CAS number of 3-fluoro-2-nitro-N-(3-fluorophenyl)aniline is 500302-19-2.
What is the molecular formula of 3-fluoro-2-nitro-N-(3-fluorophenyl)aniline?
The molecular formula of 3-fluoro-2-nitro-N-(3-fluorophenyl)aniline is C12H8F2N2O2.
What is the molecular weight of 3-fluoro-2-nitro-N-(3-fluorophenyl)aniline?
The molecular weight of 3-fluoro-2-nitro-N-(3-fluorophenyl)aniline is 250.06 g/mol.
Where can I buy 3-fluoro-2-nitro-N-(3-fluorophenyl)aniline?
You can request a quote for 3-fluoro-2-nitro-N-(3-fluorophenyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-fluoro-2-nitro-N-(3-fluorophenyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-fluoro-2-nitro-N-(3-fluorophenyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.