![4-[(3aS,6aS)-4,6-dioxo-3-(pyrazine-2-carbonyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl]benzonitrile structure](/static/products/4597/459784-02-2.webp)
4-[(3aS,6aS)-4,6-dioxo-3-(pyrazine-2-carbonyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl]benzonitrile
TL;DR: 4-[(3aS,6aS)-4,6-dioxo-3-(pyrazine-2-carbonyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl]benzonitrile (CAS 459784-02-2) is a chemical compound with molecular formula C17H10N6O3 and molecular weight 346.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3aS,6aS)-4,6-dioxo-3-(pyrazine-2-carbonyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl]benzonitrile
Also Known As: 4-[(3aS,6aS)-4,6-dioxo-3-(pyrazine-2-carbonyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl]benzonitrile, 4-((3aS,6aS)-4,6-dioxo-3-(pyrazine-2-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrazol-5(1H)-yl)benzonitrile, 4-[(3aS,6aS)-4,6-Dioxo-3-(pyrazine-2-carbonyl)-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-5-yl]-ben zonitrile, 4-[(3aS,6aS)-4,6-Dioxo-3-(pyrazine-2-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzonitrile
| Molecular Formula | C17H10N6O3 |
|---|---|
| Molecular Weight | 346.08 g/mol |
| LogP | 0.04838 |
| Topological Polar Surface Area | 128.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.08145 |
| Heavy Atoms | 26 |
| Complexity | 993.4083 |
Chemical Identifiers
| CAS Number | 459784-02-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)N2C(=O)[C@H]3[C@@H](C2=O)NN=C3C(=O)C4=NC=CN=C4 |
Product Overview
4-[(3aS,6aS)-4,6-dioxo-3-(pyrazine-2-carbonyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl]benzonitrile (CAS 459784-02-2), with molecular formula C17H10N6O3 and molecular weight 346.08 g/mol. IUPAC: 4-[(3aS,6aS)-4,6-dioxo-3-(pyrazine-2-carbonyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl]benzonitrile.
Chemical Property Profile of 4-[(3aS,6aS)-4,6-dioxo-3-(pyrazine-2-carbonyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl]benzonitrile
Property Insights of 4-[(3aS,6aS)-4,6-dioxo-3-(pyrazine-2-carbonyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl]benzonitrile
The XLogP value of 0.04838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3aS,6aS)-4,6-dioxo-3-(pyrazine-2-carbonyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl]benzonitrile. The TPSA of 128.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(3aS,6aS)-4,6-dioxo-3-(pyrazine-2-carbonyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl]benzonitrile. Following Lipinski's Rule of Five, 4-[(3aS,6aS)-4,6-dioxo-3-(pyrazine-2-carbonyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl]benzonitrile has 1 hydrogen bond donor(s) and 8 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-[(3aS,6aS)-4,6-dioxo-3-(pyrazine-2-carbonyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl]benzonitrile?
The CAS number of 4-[(3aS,6aS)-4,6-dioxo-3-(pyrazine-2-carbonyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl]benzonitrile is 459784-02-2.
What is the molecular formula of 4-[(3aS,6aS)-4,6-dioxo-3-(pyrazine-2-carbonyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl]benzonitrile?
The molecular formula of 4-[(3aS,6aS)-4,6-dioxo-3-(pyrazine-2-carbonyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl]benzonitrile is C17H10N6O3.
What is the molecular weight of 4-[(3aS,6aS)-4,6-dioxo-3-(pyrazine-2-carbonyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl]benzonitrile?
The molecular weight of 4-[(3aS,6aS)-4,6-dioxo-3-(pyrazine-2-carbonyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl]benzonitrile is 346.08 g/mol.
Where can I buy 4-[(3aS,6aS)-4,6-dioxo-3-(pyrazine-2-carbonyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl]benzonitrile?
You can request a quote for 4-[(3aS,6aS)-4,6-dioxo-3-(pyrazine-2-carbonyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(3aS,6aS)-4,6-dioxo-3-(pyrazine-2-carbonyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3aS,6aS)-4,6-dioxo-3-(pyrazine-2-carbonyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.