2-Methyl-6-nitro-4-(trifluoromethoxy)benzenemethanamine
TL;DR: 2-Methyl-6-nitro-4-(trifluoromethoxy)benzenemethanamine (CAS 887266-87-7) is a chemical compound with molecular formula C9H9F3N2O3 and molecular weight 250.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methyl-6-nitro-4-(trifluoromethoxy)phenyl]methanamine
Also Known As: 2-Methyl-6-nitro-4-(trifluoromethoxy)benzenemethanamine, [2-methyl-6-nitro-4-(trifluoromethoxy)phenyl]methanamine, 1-[2-Methyl-6-nitro-4-(trifluoromethoxy)phenyl]methanamine
| Molecular Formula | C9H9F3N2O3 |
|---|---|
| Molecular Weight | 250.06 g/mol |
| LogP | 2.26052 |
| Topological Polar Surface Area | 78.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.05653 |
| Heavy Atoms | 17 |
| Complexity | 445.8476 |
Chemical Identifiers
| CAS Number | 887266-87-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1CN)[N+](=O)[O-])OC(F)(F)F |
Product Overview
2-Methyl-6-nitro-4-(trifluoromethoxy)benzenemethanamine (CAS 887266-87-7), with molecular formula C9H9F3N2O3 and molecular weight 250.06 g/mol. IUPAC: [2-methyl-6-nitro-4-(trifluoromethoxy)phenyl]methanamine.
Chemical Property Profile of 2-Methyl-6-nitro-4-(trifluoromethoxy)benzenemethanamine
Property Insights of 2-Methyl-6-nitro-4-(trifluoromethoxy)benzenemethanamine
The XLogP value of 2.26052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-6-nitro-4-(trifluoromethoxy)benzenemethanamine. The TPSA of 78.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-6-nitro-4-(trifluoromethoxy)benzenemethanamine. Following Lipinski's Rule of Five, 2-Methyl-6-nitro-4-(trifluoromethoxy)benzenemethanamine 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-Methyl-6-nitro-4-(trifluoromethoxy)benzenemethanamine?
The CAS number of 2-Methyl-6-nitro-4-(trifluoromethoxy)benzenemethanamine is 887266-87-7.
What is the molecular formula of 2-Methyl-6-nitro-4-(trifluoromethoxy)benzenemethanamine?
The molecular formula of 2-Methyl-6-nitro-4-(trifluoromethoxy)benzenemethanamine is C9H9F3N2O3.
What is the molecular weight of 2-Methyl-6-nitro-4-(trifluoromethoxy)benzenemethanamine?
The molecular weight of 2-Methyl-6-nitro-4-(trifluoromethoxy)benzenemethanamine is 250.06 g/mol.
Where can I buy 2-Methyl-6-nitro-4-(trifluoromethoxy)benzenemethanamine?
You can request a quote for 2-Methyl-6-nitro-4-(trifluoromethoxy)benzenemethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-6-nitro-4-(trifluoromethoxy)benzenemethanamine?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-6-nitro-4-(trifluoromethoxy)benzenemethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.