![2-amino-4-((1S,4S)-bicyclo[2.2.1]hept-2-en-1-yl)-7-methyl-5-oxo-4,5-dihydropyrano[4,3-b]pyran-3-carbonitrile structure](/static/products/121/1212456-27-3.webp)
2-amino-4-((1S,4S)-bicyclo[2.2.1]hept-2-en-1-yl)-7-methyl-5-oxo-4,5-dihydropyrano[4,3-b]pyran-3-carbonitrile
TL;DR: 2-amino-4-((1S,4S)-bicyclo[2.2.1]hept-2-en-1-yl)-7-methyl-5-oxo-4,5-dihydropyrano[4,3-b]pyran-3-carbonitrile (CAS 1212456-27-3) is a chemical compound with molecular formula C17H16N2O3 and molecular weight 296.1161 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-4-(1-bicyclo[2.2.1]hept-2-enyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
Also Known As: 2-amino-4-((1S,4S)-bicyclo[2.2.1]hept-2-en-1-yl)-7-methyl-5-oxo-4,5-dihydropyrano[4,3-b]pyran-3-carbonitrile, 2-amino-4-(4-bicyclo[2.2.1]hept-2-enyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile, 2-amino-4-(bicyclo[2.2.1]hept-2-en-1-yl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
Technical Specifications
| Molecular Formula | C17H16N2O3 |
| Molecular Weight | 296.1161 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 296.1161 Da |
| Heavy Atoms | 22 |
| Complexity | 762.0 |
| SMILES | CC1=CC2=C(C(C(=C(O2)N)C#N)C34CCC(C3)C=C4)C(=O)O1 |
| InChIKey | IJMCKQRFZFKYNM-UHFFFAOYSA-N |
Chemical Property Profile of 2-amino-4-((1S,4S)-bicyclo[2.2.1]hept-2-en-1-yl)-7-methyl-5-oxo-4,5-dihydropyrano[4,3-b]pyran-3-carbonitrile
Property Insights of 2-amino-4-((1S,4S)-bicyclo[2.2.1]hept-2-en-1-yl)-7-methyl-5-oxo-4,5-dihydropyrano[4,3-b]pyran-3-carbonitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-amino-4-((1S,4S)-bicyclo[2.2.1]hept-2-en-1-yl)-7-methyl-5-oxo-4,5-dihydropyrano[4,3-b]pyran-3-carbonitrile. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-4-((1S,4S)-bicyclo[2.2.1]hept-2-en-1-yl)-7-methyl-5-oxo-4,5-dihydropyrano[4,3-b]pyran-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-4-((1S,4S)-bicyclo[2.2.1]hept-2-en-1-yl)-7-methyl-5-oxo-4,5-dihydropyrano[4,3-b]pyran-3-carbonitrile 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
What is the CAS number of 2-amino-4-((1S,4S)-bicyclo[2.2.1]hept-2-en-1-yl)-7-methyl-5-oxo-4,5-dihydropyrano[4,3-b]pyran-3-carbonitrile?
The CAS number of 2-amino-4-((1S,4S)-bicyclo[2.2.1]hept-2-en-1-yl)-7-methyl-5-oxo-4,5-dihydropyrano[4,3-b]pyran-3-carbonitrile is 1212456-27-3.
What is the molecular formula of 2-amino-4-((1S,4S)-bicyclo[2.2.1]hept-2-en-1-yl)-7-methyl-5-oxo-4,5-dihydropyrano[4,3-b]pyran-3-carbonitrile?
The molecular formula of 2-amino-4-((1S,4S)-bicyclo[2.2.1]hept-2-en-1-yl)-7-methyl-5-oxo-4,5-dihydropyrano[4,3-b]pyran-3-carbonitrile is C17H16N2O3.
What is the molecular weight of 2-amino-4-((1S,4S)-bicyclo[2.2.1]hept-2-en-1-yl)-7-methyl-5-oxo-4,5-dihydropyrano[4,3-b]pyran-3-carbonitrile?
The molecular weight of 2-amino-4-((1S,4S)-bicyclo[2.2.1]hept-2-en-1-yl)-7-methyl-5-oxo-4,5-dihydropyrano[4,3-b]pyran-3-carbonitrile is 296.1161 g/mol.
Where can I buy 2-amino-4-((1S,4S)-bicyclo[2.2.1]hept-2-en-1-yl)-7-methyl-5-oxo-4,5-dihydropyrano[4,3-b]pyran-3-carbonitrile?
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Does CoreyChem offer custom synthesis for 2-amino-4-((1S,4S)-bicyclo[2.2.1]hept-2-en-1-yl)-7-methyl-5-oxo-4,5-dihydropyrano[4,3-b]pyran-3-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 2-amino-4-((1S,4S)-bicyclo[2.2.1]hept-2-en-1-yl)-7-methyl-5-oxo-4,5-dihydropyrano[4,3-b]pyran-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.