2C-086
TL;DR: 2C-086 (CAS 338394-38-0) is a chemical compound with molecular formula C12H7F6N3O2 and molecular weight 339.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-(trifluoromethoxy)phenyl]iminomethyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one
Also Known As: 2C-086, 4-{[4-(trifluoromethoxy)anilino]methylene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, 4-({[4-(trifluoromethoxy)phenyl]amino}methylidene)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one, 4-[[4-(trifluoromethoxy)phenyl]iminomethyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one, (4Z)-4-[[4-(trifluoromethoxy)anilino]methylidene]-3-(trifluoromethyl)-1H-pyrazol-5-one
| Molecular Formula | C12H7F6N3O2 |
|---|---|
| Molecular Weight | 339.04 g/mol |
| LogP | 3.371 |
| Topological Polar Surface Area | 70.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.04425 |
| Heavy Atoms | 23 |
| Complexity | 754.8288 |
Chemical Identifiers
| CAS Number | 338394-38-0 |
|---|---|
| SMILES | C1=CC(=CC=C1N=CC2=C(NNC2=O)C(F)(F)F)OC(F)(F)F |
Product Overview
2C-086 (CAS 338394-38-0), with molecular formula C12H7F6N3O2 and molecular weight 339.04 g/mol. IUPAC: 4-[[4-(trifluoromethoxy)phenyl]iminomethyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one.
Chemical Property Profile of 2C-086
Property Insights of 2C-086
The XLogP value of 3.371 indicates that 2C-086 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 2C-086. Following Lipinski's Rule of Five, 2C-086 has 2 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 2C-086?
The CAS number of 2C-086 is 338394-38-0.
What is the molecular formula of 2C-086?
The molecular formula of 2C-086 is C12H7F6N3O2.
What is the molecular weight of 2C-086?
The molecular weight of 2C-086 is 339.04 g/mol.
Where can I buy 2C-086?
You can request a quote for 2C-086 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2C-086?
Yes, KEHONG BIO provides custom synthesis services for 2C-086 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.