1-Nitro-2-(2,2,2-trifluoroethyl)guanidine
TL;DR: 1-Nitro-2-(2,2,2-trifluoroethyl)guanidine (CAS 459-79-0) is a chemical compound with molecular formula C3H5F3N4O2 and molecular weight 186.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-2-(2,2,2-trifluoroethyl)guanidine
Also Known As: 1-nitro-2-(2,2,2-trifluoroethyl)guanidine, N-NITRO-N''-(2,2,2-TRIFLUOROETHYL)GUANIDINE
| Molecular Formula | C3H5F3N4O2 |
|---|---|
| Molecular Weight | 186.04 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.03645 |
| Heavy Atoms | 12 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 459-79-0 |
|---|---|
| SMILES | C(C(F)(F)F)N=C(N)N[N+](=O)[O-] |
| InChIKey | WOFHDTDNHHCURG-UHFFFAOYSA-N |
Product Overview
1-Nitro-2-(2,2,2-trifluoroethyl)guanidine (CAS 459-79-0), with molecular formula C3H5F3N4O2 and molecular weight 186.04 g/mol. IUPAC: 1-nitro-2-(2,2,2-trifluoroethyl)guanidine.
Chemical Property Profile of 1-Nitro-2-(2,2,2-trifluoroethyl)guanidine
Property Insights of 1-Nitro-2-(2,2,2-trifluoroethyl)guanidine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitro-2-(2,2,2-trifluoroethyl)guanidine. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitro-2-(2,2,2-trifluoroethyl)guanidine. Following Lipinski's Rule of Five, 1-Nitro-2-(2,2,2-trifluoroethyl)guanidine has 2 hydrogen bond donor(s) and 6 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 1-Nitro-2-(2,2,2-trifluoroethyl)guanidine?
The CAS number of 1-Nitro-2-(2,2,2-trifluoroethyl)guanidine is 459-79-0.
What is the molecular formula of 1-Nitro-2-(2,2,2-trifluoroethyl)guanidine?
The molecular formula of 1-Nitro-2-(2,2,2-trifluoroethyl)guanidine is C3H5F3N4O2.
What is the molecular weight of 1-Nitro-2-(2,2,2-trifluoroethyl)guanidine?
The molecular weight of 1-Nitro-2-(2,2,2-trifluoroethyl)guanidine is 186.04 g/mol.
Where can I buy 1-Nitro-2-(2,2,2-trifluoroethyl)guanidine?
You can request a quote for 1-Nitro-2-(2,2,2-trifluoroethyl)guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitro-2-(2,2,2-trifluoroethyl)guanidine?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-2-(2,2,2-trifluoroethyl)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.