![2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]propanedinitrile structure](/static/products/1225/122520-72-3.webp)
2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]propanedinitrile
TL;DR: 2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]propanedinitrile (CAS 122520-72-3) is a chemical compound with molecular formula C11H5N3O4 and molecular weight 243.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]propanedinitrile
Also Known As: BAS 00632217, benzylidenemalononitrile (BMN) deriv. 7, J1.821.552G, 3,.4-Methylenedioxy-6-nitrobenzylidene malononitrile, 2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]propanedinitrile
| Molecular Formula | C11H5N3O4 |
|---|---|
| Molecular Weight | 243.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.028 |
| Heavy Atoms | 18 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 122520-72-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)C=C(C#N)C#N)[N+](=O)[O-] |
| InChIKey | SRYYXVFONUYVLR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]propanedinitrile (CAS 122520-72-3), with molecular formula C11H5N3O4 and molecular weight 243.03 g/mol. IUPAC: 2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]propanedinitrile.
Chemical Property Profile of 2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]propanedinitrile
Property Insights of 2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]propanedinitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]propanedinitrile. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]propanedinitrile. Following Lipinski's Rule of Five, 2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]propanedinitrile has 0 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 2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]propanedinitrile?
The CAS number of 2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]propanedinitrile is 122520-72-3.
What is the molecular formula of 2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]propanedinitrile?
The molecular formula of 2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]propanedinitrile is C11H5N3O4.
What is the molecular weight of 2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]propanedinitrile?
The molecular weight of 2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]propanedinitrile is 243.03 g/mol.
Where can I buy 2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]propanedinitrile?
You can request a quote for 2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.