![(2,2-Dicyano-3-azabicyclo[2.2.1]hept-5-en-3-yl) 4-nitrobenzoate structure](/static/products/3341/33414-56-1.webp)
(2,2-Dicyano-3-azabicyclo[2.2.1]hept-5-en-3-yl) 4-nitrobenzoate
TL;DR: (2,2-Dicyano-3-azabicyclo[2.2.1]hept-5-en-3-yl) 4-nitrobenzoate (CAS 33414-56-1) is a chemical compound with molecular formula C15H10N4O4 and molecular weight 310.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,3-dicyano-2-azabicyclo[2.2.1]hept-5-en-2-yl) 4-nitrobenzoate
Also Known As: (2,2-dicyano-3-azabicyclo[2.2.1]hept-5-en-3-yl) 4-nitrobenzoate, (2,2-dicyano-3-azabicyclo[2.2.1]hept-5-en-3-yl) 4-nitrobenzo, 3,3-DICYANO-2-AZABICYCLO[2.2.1]HEPT-5-EN-2-YL 4-NITROBENZOATE
| Molecular Formula | C15H10N4O4 |
|---|---|
| Molecular Weight | 310.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.0702 |
| Heavy Atoms | 23 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 33414-56-1 |
|---|---|
| SMILES | C1C2C=CC1N(C2(C#N)C#N)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | PFCLUDNXHHIWTA-UHFFFAOYSA-N |
Product Overview
(2,2-Dicyano-3-azabicyclo[2.2.1]hept-5-en-3-yl) 4-nitrobenzoate (CAS 33414-56-1), with molecular formula C15H10N4O4 and molecular weight 310.07 g/mol. IUPAC: (3,3-dicyano-2-azabicyclo[2.2.1]hept-5-en-2-yl) 4-nitrobenzoate.
Chemical Property Profile of (2,2-Dicyano-3-azabicyclo[2.2.1]hept-5-en-3-yl) 4-nitrobenzoate
Property Insights of (2,2-Dicyano-3-azabicyclo[2.2.1]hept-5-en-3-yl) 4-nitrobenzoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,2-Dicyano-3-azabicyclo[2.2.1]hept-5-en-3-yl) 4-nitrobenzoate. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,2-Dicyano-3-azabicyclo[2.2.1]hept-5-en-3-yl) 4-nitrobenzoate. Following Lipinski's Rule of Five, (2,2-Dicyano-3-azabicyclo[2.2.1]hept-5-en-3-yl) 4-nitrobenzoate 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 (2,2-Dicyano-3-azabicyclo[2.2.1]hept-5-en-3-yl) 4-nitrobenzoate?
The CAS number of (2,2-Dicyano-3-azabicyclo[2.2.1]hept-5-en-3-yl) 4-nitrobenzoate is 33414-56-1.
What is the molecular formula of (2,2-Dicyano-3-azabicyclo[2.2.1]hept-5-en-3-yl) 4-nitrobenzoate?
The molecular formula of (2,2-Dicyano-3-azabicyclo[2.2.1]hept-5-en-3-yl) 4-nitrobenzoate is C15H10N4O4.
What is the molecular weight of (2,2-Dicyano-3-azabicyclo[2.2.1]hept-5-en-3-yl) 4-nitrobenzoate?
The molecular weight of (2,2-Dicyano-3-azabicyclo[2.2.1]hept-5-en-3-yl) 4-nitrobenzoate is 310.07 g/mol.
Where can I buy (2,2-Dicyano-3-azabicyclo[2.2.1]hept-5-en-3-yl) 4-nitrobenzoate?
You can request a quote for (2,2-Dicyano-3-azabicyclo[2.2.1]hept-5-en-3-yl) 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,2-Dicyano-3-azabicyclo[2.2.1]hept-5-en-3-yl) 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (2,2-Dicyano-3-azabicyclo[2.2.1]hept-5-en-3-yl) 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.