Sydnone imine, 3-phenethyl-N-((alpha,alpha,alpha-trifluoro-m-tolyl)carbamoyl)-
TL;DR: Sydnone imine, 3-phenethyl-N-((alpha,alpha,alpha-trifluoro-m-tolyl)carbamoyl)- (CAS 67629-53-2) is a chemical compound with molecular formula C18H15F3N4O2 and molecular weight 376.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[3-(2-phenylethyl)oxadiazol-3-ium-5-yl]-N-[3-(trifluoromethyl)phenyl]carbamimidate
Also Known As: US20250353853, Example 5, 3-Phenethyl-N-((alpha,alpha,alpha-trifluoro-m-tolyl)carbamoyl)sydnone imine, Sydnone imine, 3-phenethyl-N-((alpha,alpha,alpha-trifluoro-m-tolyl)carbamoyl)-, (3-phenethyl-1,2,3-oxadiazol-3-ium-5-yl)((3-(trifluoromethyl)phenyl) carbamoyl)amide, RefChem:1099316
| Molecular Formula | C18H15F3N4O2 |
|---|---|
| Molecular Weight | 376.11 g/mol |
| LogP | 2.6835 |
| Topological Polar Surface Area | 77.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.11472 |
| Heavy Atoms | 27 |
| Complexity | 923.6111 |
Chemical Identifiers
| CAS Number | 67629-53-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC[N+]2=NOC(=C2)/N=C(/NC3=CC=CC(=C3)C(F)(F)F)\[O-] |
Product Overview
Sydnone imine, 3-phenethyl-N-((alpha,alpha,alpha-trifluoro-m-tolyl)carbamoyl)- (CAS 67629-53-2), with molecular formula C18H15F3N4O2 and molecular weight 376.11 g/mol. IUPAC: N'-[3-(2-phenylethyl)oxadiazol-3-ium-5-yl]-N-[3-(trifluoromethyl)phenyl]carbamimidate.
Chemical Property Profile of Sydnone imine, 3-phenethyl-N-((alpha,alpha,alpha-trifluoro-m-tolyl)carbamoyl)-
Property Insights of Sydnone imine, 3-phenethyl-N-((alpha,alpha,alpha-trifluoro-m-tolyl)carbamoyl)-
The XLogP value of 2.6835 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sydnone imine, 3-phenethyl-N-((alpha,alpha,alpha-trifluoro-m-tolyl)carbamoyl)-. The TPSA of 77.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Sydnone imine, 3-phenethyl-N-((alpha,alpha,alpha-trifluoro-m-tolyl)carbamoyl)-. Following Lipinski's Rule of Five, Sydnone imine, 3-phenethyl-N-((alpha,alpha,alpha-trifluoro-m-tolyl)carbamoyl)- 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 Sydnone imine, 3-phenethyl-N-((alpha,alpha,alpha-trifluoro-m-tolyl)carbamoyl)-?
The CAS number of Sydnone imine, 3-phenethyl-N-((alpha,alpha,alpha-trifluoro-m-tolyl)carbamoyl)- is 67629-53-2.
What is the molecular formula of Sydnone imine, 3-phenethyl-N-((alpha,alpha,alpha-trifluoro-m-tolyl)carbamoyl)-?
The molecular formula of Sydnone imine, 3-phenethyl-N-((alpha,alpha,alpha-trifluoro-m-tolyl)carbamoyl)- is C18H15F3N4O2.
What is the molecular weight of Sydnone imine, 3-phenethyl-N-((alpha,alpha,alpha-trifluoro-m-tolyl)carbamoyl)-?
The molecular weight of Sydnone imine, 3-phenethyl-N-((alpha,alpha,alpha-trifluoro-m-tolyl)carbamoyl)- is 376.11 g/mol.
Where can I buy Sydnone imine, 3-phenethyl-N-((alpha,alpha,alpha-trifluoro-m-tolyl)carbamoyl)-?
You can request a quote for Sydnone imine, 3-phenethyl-N-((alpha,alpha,alpha-trifluoro-m-tolyl)carbamoyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sydnone imine, 3-phenethyl-N-((alpha,alpha,alpha-trifluoro-m-tolyl)carbamoyl)-?
Yes, KEHONG BIO provides custom synthesis services for Sydnone imine, 3-phenethyl-N-((alpha,alpha,alpha-trifluoro-m-tolyl)carbamoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.