![2-[4-(1,3-Benzodioxol-5-yl)-2,3-dioxopyrazin-1-yl]acetonitrile structure](/static/products/898/898419-46-0.png)
2-[4-(1,3-Benzodioxol-5-yl)-2,3-dioxopyrazin-1-yl]acetonitrile
TL;DR: 2-[4-(1,3-Benzodioxol-5-yl)-2,3-dioxopyrazin-1-yl]acetonitrile (CAS 898419-46-0) is a chemical compound with molecular formula C13H9N3O4 and molecular weight 271.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-benzodioxol-5-yl)-2,3-dioxopyrazin-1-yl]acetonitrile
Also Known As: AB00679811-01, F2580-0674, 2-[4-(1,3-benzodioxol-5-yl)-2,3-dioxopyrazin-1-yl]acetonitrile, 2-(4-(benzo[d][1,3]dioxol-5-yl)-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)acetonitrile, 2-[4-(2H-1,3-benzodioxol-5-yl)-2,3-dioxo-1,2,3,4-tetrahydropyrazin-1-yl]acetonitrile
| Molecular Formula | C13H9N3O4 |
|---|---|
| Molecular Weight | 271.06 g/mol |
| LogP | 0.25148 |
| Topological Polar Surface Area | 86.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.0593 |
| Heavy Atoms | 20 |
| Complexity | 828.73065 |
Chemical Identifiers
| CAS Number | 898419-46-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)N3C=CN(C(=O)C3=O)CC#N |
Product Overview
2-[4-(1,3-Benzodioxol-5-yl)-2,3-dioxopyrazin-1-yl]acetonitrile (CAS 898419-46-0), with molecular formula C13H9N3O4 and molecular weight 271.06 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-yl)-2,3-dioxopyrazin-1-yl]acetonitrile.
Chemical Property Profile of 2-[4-(1,3-Benzodioxol-5-yl)-2,3-dioxopyrazin-1-yl]acetonitrile
Property Insights of 2-[4-(1,3-Benzodioxol-5-yl)-2,3-dioxopyrazin-1-yl]acetonitrile
The XLogP value of 0.25148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(1,3-Benzodioxol-5-yl)-2,3-dioxopyrazin-1-yl]acetonitrile. The TPSA of 86.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(1,3-Benzodioxol-5-yl)-2,3-dioxopyrazin-1-yl]acetonitrile. Following Lipinski's Rule of Five, 2-[4-(1,3-Benzodioxol-5-yl)-2,3-dioxopyrazin-1-yl]acetonitrile has 0 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-[4-(1,3-Benzodioxol-5-yl)-2,3-dioxopyrazin-1-yl]acetonitrile?
The CAS number of 2-[4-(1,3-Benzodioxol-5-yl)-2,3-dioxopyrazin-1-yl]acetonitrile is 898419-46-0.
What is the molecular formula of 2-[4-(1,3-Benzodioxol-5-yl)-2,3-dioxopyrazin-1-yl]acetonitrile?
The molecular formula of 2-[4-(1,3-Benzodioxol-5-yl)-2,3-dioxopyrazin-1-yl]acetonitrile is C13H9N3O4.
What is the molecular weight of 2-[4-(1,3-Benzodioxol-5-yl)-2,3-dioxopyrazin-1-yl]acetonitrile?
The molecular weight of 2-[4-(1,3-Benzodioxol-5-yl)-2,3-dioxopyrazin-1-yl]acetonitrile is 271.06 g/mol.
Where can I buy 2-[4-(1,3-Benzodioxol-5-yl)-2,3-dioxopyrazin-1-yl]acetonitrile?
You can request a quote for 2-[4-(1,3-Benzodioxol-5-yl)-2,3-dioxopyrazin-1-yl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(1,3-Benzodioxol-5-yl)-2,3-dioxopyrazin-1-yl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(1,3-Benzodioxol-5-yl)-2,3-dioxopyrazin-1-yl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.