2-Isoindolineacetamide, N-antipyrinyl-1,3-dioxo-alpha-ethyl-
TL;DR: 2-Isoindolineacetamide, N-antipyrinyl-1,3-dioxo-alpha-ethyl- (CAS 81217-03-0) is a chemical compound with molecular formula C23H22N4O4 and molecular weight 418.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)butanamide
Also Known As: N-Antipyrinyl-1,3-dioxo-alpha-ethyl-2-isoindolineacetamide, 2-ISOINDOLINEACETAMIDE, N-ANTIPYRINYL-1,3-DIOXO-alpha-ETHYL-, N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)butanamide, N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanimidic acid, N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanamide
| Molecular Formula | C23H22N4O4 |
|---|---|
| Molecular Weight | 418.16 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 90.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.1641 |
| Heavy Atoms | 31 |
| Complexity | 792.0 |
Chemical Identifiers
| CAS Number | 81217-03-0 |
|---|---|
| SMILES | CCC(C(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C)N3C(=O)C4=CC=CC=C4C3=O |
| InChIKey | ZCSBLODOKMSEQP-UHFFFAOYSA-N |
Product Overview
2-Isoindolineacetamide, N-antipyrinyl-1,3-dioxo-alpha-ethyl- (CAS 81217-03-0), with molecular formula C23H22N4O4 and molecular weight 418.16 g/mol. IUPAC: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)butanamide.
Chemical Property Profile of 2-Isoindolineacetamide, N-antipyrinyl-1,3-dioxo-alpha-ethyl-
Property Insights of 2-Isoindolineacetamide, N-antipyrinyl-1,3-dioxo-alpha-ethyl-
The XLogP value of 3.0 indicates that 2-Isoindolineacetamide, N-antipyrinyl-1,3-dioxo-alpha-ethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Isoindolineacetamide, N-antipyrinyl-1,3-dioxo-alpha-ethyl-. Following Lipinski's Rule of Five, 2-Isoindolineacetamide, N-antipyrinyl-1,3-dioxo-alpha-ethyl- has 1 hydrogen bond donor(s) and 5 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-Isoindolineacetamide, N-antipyrinyl-1,3-dioxo-alpha-ethyl-?
The CAS number of 2-Isoindolineacetamide, N-antipyrinyl-1,3-dioxo-alpha-ethyl- is 81217-03-0.
What is the molecular formula of 2-Isoindolineacetamide, N-antipyrinyl-1,3-dioxo-alpha-ethyl-?
The molecular formula of 2-Isoindolineacetamide, N-antipyrinyl-1,3-dioxo-alpha-ethyl- is C23H22N4O4.
What is the molecular weight of 2-Isoindolineacetamide, N-antipyrinyl-1,3-dioxo-alpha-ethyl-?
The molecular weight of 2-Isoindolineacetamide, N-antipyrinyl-1,3-dioxo-alpha-ethyl- is 418.16 g/mol.
Where can I buy 2-Isoindolineacetamide, N-antipyrinyl-1,3-dioxo-alpha-ethyl-?
You can request a quote for 2-Isoindolineacetamide, N-antipyrinyl-1,3-dioxo-alpha-ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isoindolineacetamide, N-antipyrinyl-1,3-dioxo-alpha-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Isoindolineacetamide, N-antipyrinyl-1,3-dioxo-alpha-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.