![2-{2,4,5-Trioxo-3-[3-(trifluoromethyl)benzyl]-1-imidazolidinyl}acetonitrile structure](/static/products/3204/320422-99-9.webp)
2-{2,4,5-Trioxo-3-[3-(trifluoromethyl)benzyl]-1-imidazolidinyl}acetonitrile
TL;DR: 2-{2,4,5-Trioxo-3-[3-(trifluoromethyl)benzyl]-1-imidazolidinyl}acetonitrile (CAS 320422-99-9) is a chemical compound with molecular formula C13H8F3N3O3 and molecular weight 311.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,4,5-trioxo-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-1-yl]acetonitrile
Also Known As: 2-{2,4,5-trioxo-3-[3-(trifluoromethyl)benzyl]-1-imidazolidinyl}acetonitrile, 2-(2,4,5-trioxo-3-{[3-(trifluoromethyl)phenyl]methyl}imidazolidin-1-yl)acetonitrile, 2-[2,4,5-trioxo-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-1-yl]acetonitrile, 2-{2,4,5-Trioxo-3-3-(trifluoromethyl)benzyl-1-imidazolidinyl}acetonitrile, (2,4,5-Trioxo-3-{[3-(trifluoromethyl)phenyl]methyl}imidazolidin-1-yl)acetonitrile
| Molecular Formula | C13H8F3N3O3 |
|---|---|
| Molecular Weight | 311.05 g/mol |
| LogP | 1.51978 |
| Topological Polar Surface Area | 81.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.0518 |
| Heavy Atoms | 22 |
| Complexity | 693.7512 |
Chemical Identifiers
| CAS Number | 320422-99-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CN2C(=O)C(=O)N(C2=O)CC#N |
Product Overview
2-{2,4,5-Trioxo-3-[3-(trifluoromethyl)benzyl]-1-imidazolidinyl}acetonitrile (CAS 320422-99-9), with molecular formula C13H8F3N3O3 and molecular weight 311.05 g/mol. IUPAC: 2-[2,4,5-trioxo-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-1-yl]acetonitrile.
Chemical Property Profile of 2-{2,4,5-Trioxo-3-[3-(trifluoromethyl)benzyl]-1-imidazolidinyl}acetonitrile
Property Insights of 2-{2,4,5-Trioxo-3-[3-(trifluoromethyl)benzyl]-1-imidazolidinyl}acetonitrile
The XLogP value of 1.51978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{2,4,5-Trioxo-3-[3-(trifluoromethyl)benzyl]-1-imidazolidinyl}acetonitrile. The TPSA of 81.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{2,4,5-Trioxo-3-[3-(trifluoromethyl)benzyl]-1-imidazolidinyl}acetonitrile. Following Lipinski's Rule of Five, 2-{2,4,5-Trioxo-3-[3-(trifluoromethyl)benzyl]-1-imidazolidinyl}acetonitrile has 0 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-{2,4,5-Trioxo-3-[3-(trifluoromethyl)benzyl]-1-imidazolidinyl}acetonitrile?
The CAS number of 2-{2,4,5-Trioxo-3-[3-(trifluoromethyl)benzyl]-1-imidazolidinyl}acetonitrile is 320422-99-9.
What is the molecular formula of 2-{2,4,5-Trioxo-3-[3-(trifluoromethyl)benzyl]-1-imidazolidinyl}acetonitrile?
The molecular formula of 2-{2,4,5-Trioxo-3-[3-(trifluoromethyl)benzyl]-1-imidazolidinyl}acetonitrile is C13H8F3N3O3.
What is the molecular weight of 2-{2,4,5-Trioxo-3-[3-(trifluoromethyl)benzyl]-1-imidazolidinyl}acetonitrile?
The molecular weight of 2-{2,4,5-Trioxo-3-[3-(trifluoromethyl)benzyl]-1-imidazolidinyl}acetonitrile is 311.05 g/mol.
Where can I buy 2-{2,4,5-Trioxo-3-[3-(trifluoromethyl)benzyl]-1-imidazolidinyl}acetonitrile?
You can request a quote for 2-{2,4,5-Trioxo-3-[3-(trifluoromethyl)benzyl]-1-imidazolidinyl}acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{2,4,5-Trioxo-3-[3-(trifluoromethyl)benzyl]-1-imidazolidinyl}acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{2,4,5-Trioxo-3-[3-(trifluoromethyl)benzyl]-1-imidazolidinyl}acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.