Pentanenitrile,2-acetyl-2-methyl-4-oxo
TL;DR: Pentanenitrile,2-acetyl-2-methyl-4-oxo (CAS 5839-13-4) is a chemical compound with molecular formula C20H15F3N4O4 and molecular weight 432.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Also Known As: Pentanenitrile,2-acetyl-2-methyl-4-oxo, N-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, N-(3,4-dimethoxyphenyl)-5-(2-furyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, N-(3,4-DIMETHOXYPHENYL)-4-(2-FURYL)-2-(TRIFLUOROMETHYL)-1,5,9-TRIAZABICYCLO[4.3.0]NONA-2,4,6,8-TETRAENE-7-CARBOXAMIDE, N-(3,4-dimethoxyphenyl)-5-(2-furanyl)-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide
| Molecular Formula | C20H15F3N4O4 |
|---|---|
| Molecular Weight | 432.10 g/mol |
| LogP | 4.2776 |
| Topological Polar Surface Area | 90.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.10455 |
| Heavy Atoms | 31 |
| Complexity | 1249.5292 |
Chemical Identifiers
| CAS Number | 5839-13-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)NC(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=CO4)OC |
Product Overview
Pentanenitrile,2-acetyl-2-methyl-4-oxo (CAS 5839-13-4), with molecular formula C20H15F3N4O4 and molecular weight 432.10 g/mol. IUPAC: N-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
Chemical Property Profile of Pentanenitrile,2-acetyl-2-methyl-4-oxo
Property Insights of Pentanenitrile,2-acetyl-2-methyl-4-oxo
The XLogP value of 4.2776 indicates that Pentanenitrile,2-acetyl-2-methyl-4-oxo is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.89 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentanenitrile,2-acetyl-2-methyl-4-oxo. Following Lipinski's Rule of Five, Pentanenitrile,2-acetyl-2-methyl-4-oxo has 1 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 Pentanenitrile,2-acetyl-2-methyl-4-oxo?
The CAS number of Pentanenitrile,2-acetyl-2-methyl-4-oxo is 5839-13-4.
What is the molecular formula of Pentanenitrile,2-acetyl-2-methyl-4-oxo?
The molecular formula of Pentanenitrile,2-acetyl-2-methyl-4-oxo is C20H15F3N4O4.
What is the molecular weight of Pentanenitrile,2-acetyl-2-methyl-4-oxo?
The molecular weight of Pentanenitrile,2-acetyl-2-methyl-4-oxo is 432.10 g/mol.
Where can I buy Pentanenitrile,2-acetyl-2-methyl-4-oxo?
You can request a quote for Pentanenitrile,2-acetyl-2-methyl-4-oxo directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanenitrile,2-acetyl-2-methyl-4-oxo?
Yes, KEHONG BIO provides custom synthesis services for Pentanenitrile,2-acetyl-2-methyl-4-oxo and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.