4-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)butyl 3,5-dimethyl-4-nitro-1H-pyrazole-1-acetate
TL;DR: 4-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)butyl 3,5-dimethyl-4-nitro-1H-pyrazole-1-acetate (CAS 956508-18-2) is a chemical compound with molecular formula C19H20N4O6 and molecular weight 400.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-dioxoisoindol-2-yl)butyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate
Also Known As: 4-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)butyl 3,5-dimethyl-4-nitro-1H-pyrazole-1-acetate, 4-(1,3-dioxoisoindol-2-yl)butyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate, 4-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl (3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetate
| Molecular Formula | C19H20N4O6 |
|---|---|
| Molecular Weight | 400.14 g/mol |
| LogP | 2.02774 |
| Topological Polar Surface Area | 124.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 400.13828 |
| Heavy Atoms | 29 |
| Complexity | 961.58075 |
Chemical Identifiers
| CAS Number | 956508-18-2 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O)C)[N+](=O)[O-] |
Product Overview
4-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)butyl 3,5-dimethyl-4-nitro-1H-pyrazole-1-acetate (CAS 956508-18-2), with molecular formula C19H20N4O6 and molecular weight 400.14 g/mol. IUPAC: 4-(1,3-dioxoisoindol-2-yl)butyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate.
Chemical Property Profile of 4-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)butyl 3,5-dimethyl-4-nitro-1H-pyrazole-1-acetate
Property Insights of 4-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)butyl 3,5-dimethyl-4-nitro-1H-pyrazole-1-acetate
The XLogP value of 2.02774 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)butyl 3,5-dimethyl-4-nitro-1H-pyrazole-1-acetate. The TPSA of 124.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)butyl 3,5-dimethyl-4-nitro-1H-pyrazole-1-acetate. Following Lipinski's Rule of Five, 4-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)butyl 3,5-dimethyl-4-nitro-1H-pyrazole-1-acetate has 0 hydrogen bond donor(s) and 7 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 4-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)butyl 3,5-dimethyl-4-nitro-1H-pyrazole-1-acetate?
The CAS number of 4-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)butyl 3,5-dimethyl-4-nitro-1H-pyrazole-1-acetate is 956508-18-2.
What is the molecular formula of 4-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)butyl 3,5-dimethyl-4-nitro-1H-pyrazole-1-acetate?
The molecular formula of 4-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)butyl 3,5-dimethyl-4-nitro-1H-pyrazole-1-acetate is C19H20N4O6.
What is the molecular weight of 4-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)butyl 3,5-dimethyl-4-nitro-1H-pyrazole-1-acetate?
The molecular weight of 4-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)butyl 3,5-dimethyl-4-nitro-1H-pyrazole-1-acetate is 400.14 g/mol.
Where can I buy 4-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)butyl 3,5-dimethyl-4-nitro-1H-pyrazole-1-acetate?
You can request a quote for 4-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)butyl 3,5-dimethyl-4-nitro-1H-pyrazole-1-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)butyl 3,5-dimethyl-4-nitro-1H-pyrazole-1-acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)butyl 3,5-dimethyl-4-nitro-1H-pyrazole-1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.