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N'-methyl-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenecarboximidamide
TL;DR: N'-methyl-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenecarboximidamide (CAS 339027-55-3) is a chemical compound with molecular formula C15H12F3N3O2 and molecular weight 323.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-methyl-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenecarboximidamide
Also Known As: N'-methyl-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenecarboximidamide, 8F-335S, (E)-N'-methyl-3-nitro-N-[3-(trifluoromethyl)phenyl]benzene-1-carboximidamide, N'-methyl-3-nitro-N-[3-(trifluoromethyl)phenyl]benzamidine
| Molecular Formula | C15H12F3N3O2 |
|---|---|
| Molecular Weight | 323.09 g/mol |
| LogP | 4.1021 |
| Topological Polar Surface Area | 67.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.08817 |
| Heavy Atoms | 23 |
| Complexity | 757.6275 |
Chemical Identifiers
| CAS Number | 339027-55-3 |
|---|---|
| SMILES | CN=C(C1=CC(=CC=C1)[N+](=O)[O-])NC2=CC=CC(=C2)C(F)(F)F |
Product Overview
N'-methyl-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenecarboximidamide (CAS 339027-55-3), with molecular formula C15H12F3N3O2 and molecular weight 323.09 g/mol. IUPAC: N'-methyl-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenecarboximidamide.
Chemical Property Profile of N'-methyl-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenecarboximidamide
Property Insights of N'-methyl-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenecarboximidamide
The XLogP value of 4.1021 indicates that N'-methyl-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenecarboximidamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.53 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-methyl-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenecarboximidamide. Following Lipinski's Rule of Five, N'-methyl-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenecarboximidamide has 1 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 N'-methyl-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenecarboximidamide?
The CAS number of N'-methyl-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenecarboximidamide is 339027-55-3.
What is the molecular formula of N'-methyl-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenecarboximidamide?
The molecular formula of N'-methyl-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenecarboximidamide is C15H12F3N3O2.
What is the molecular weight of N'-methyl-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenecarboximidamide?
The molecular weight of N'-methyl-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenecarboximidamide is 323.09 g/mol.
Where can I buy N'-methyl-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenecarboximidamide?
You can request a quote for N'-methyl-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenecarboximidamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-methyl-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenecarboximidamide?
Yes, KEHONG BIO provides custom synthesis services for N'-methyl-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenecarboximidamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.