2-(Difluoromethoxy)-5-nitroaniline
TL;DR: 2-(Difluoromethoxy)-5-nitroaniline (CAS 54939-58-1) is a chemical compound with molecular formula C7H6F2N2O3 and molecular weight 204.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(difluoromethoxy)-5-nitroaniline
Also Known As: 2-(difluoromethoxy)-5-nitroaniline, 3-FURANMETHANOL, 2-Difluoromethoxy-5-nitroaniline, Benzenamine,2-(difluoromethoxy)-5-nitro-, 3-Amino-4-(difluoromethoxy)nitrobenzene
| Molecular Formula | C7H6F2N2O3 |
|---|---|
| Molecular Weight | 204.03 g/mol |
| LogP | 1.7784 |
| Topological Polar Surface Area | 78.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.03465 |
| Heavy Atoms | 14 |
| Complexity | 356.78818 |
Chemical Identifiers
| CAS Number | 54939-58-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])N)OC(F)F |
Product Overview
2-(Difluoromethoxy)-5-nitroaniline (CAS 54939-58-1), with molecular formula C7H6F2N2O3 and molecular weight 204.03 g/mol. IUPAC: 2-(difluoromethoxy)-5-nitroaniline.
Chemical Property Profile of 2-(Difluoromethoxy)-5-nitroaniline
Property Insights of 2-(Difluoromethoxy)-5-nitroaniline
The XLogP value of 1.7784 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Difluoromethoxy)-5-nitroaniline. The TPSA of 78.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Difluoromethoxy)-5-nitroaniline. Following Lipinski's Rule of Five, 2-(Difluoromethoxy)-5-nitroaniline has 1 hydrogen bond donor(s) and 4 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 2-(Difluoromethoxy)-5-nitroaniline?
The CAS number of 2-(Difluoromethoxy)-5-nitroaniline is 54939-58-1.
What is the molecular formula of 2-(Difluoromethoxy)-5-nitroaniline?
The molecular formula of 2-(Difluoromethoxy)-5-nitroaniline is C7H6F2N2O3.
What is the molecular weight of 2-(Difluoromethoxy)-5-nitroaniline?
The molecular weight of 2-(Difluoromethoxy)-5-nitroaniline is 204.03 g/mol.
Where can I buy 2-(Difluoromethoxy)-5-nitroaniline?
You can request a quote for 2-(Difluoromethoxy)-5-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Difluoromethoxy)-5-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-(Difluoromethoxy)-5-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.