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Tricyclo[3.1.0.02,6]hex-3-ene-3-carbonitrile
TL;DR: Tricyclo[3.1.0.02,6]hex-3-ene-3-carbonitrile (CAS 103495-51-8) is a chemical compound with molecular formula C7H5N and molecular weight 103.0422 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tricyclo[3.1.0.02,6]hex-3-ene-3-carbonitrile
Also Known As: Tricyclo[3.1.0.02,6]hex-3-ene-3-carbonitrile, 2-methylpyrimidin-5-yl boronic acid, Tricyclo[3.1.0.0(2,6)]hex-3-ene-3-carbonitrile, Tricyclo[3.1.0.0(2,4)]hex-3-ene-3-carbonitrile, Tricyclo[3.1.0.0~2,6~]hex-3-ene-3-carbonitrile
Technical Specifications
| Molecular Formula | C7H5N |
| Molecular Weight | 103.0422 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 103.0422 Da |
| Heavy Atoms | 8 |
| Complexity | 232.0 |
| SMILES | C1=C(C2C3C1C32)C#N |
| InChIKey | VNWWNLCVXWGXIO-UHFFFAOYSA-N |
Chemical Property Profile of Tricyclo[3.1.0.02,6]hex-3-ene-3-carbonitrile
Property Insights of Tricyclo[3.1.0.02,6]hex-3-ene-3-carbonitrile
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tricyclo[3.1.0.02,6]hex-3-ene-3-carbonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, Tricyclo[3.1.0.02,6]hex-3-ene-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tricyclo[3.1.0.02,6]hex-3-ene-3-carbonitrile has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Tricyclo[3.1.0.02,6]hex-3-ene-3-carbonitrile?
The CAS number of Tricyclo[3.1.0.02,6]hex-3-ene-3-carbonitrile is 103495-51-8.
What is the molecular formula of Tricyclo[3.1.0.02,6]hex-3-ene-3-carbonitrile?
The molecular formula of Tricyclo[3.1.0.02,6]hex-3-ene-3-carbonitrile is C7H5N.
What is the molecular weight of Tricyclo[3.1.0.02,6]hex-3-ene-3-carbonitrile?
The molecular weight of Tricyclo[3.1.0.02,6]hex-3-ene-3-carbonitrile is 103.0422 g/mol.
Where can I buy Tricyclo[3.1.0.02,6]hex-3-ene-3-carbonitrile?
You can request a quote for Tricyclo[3.1.0.02,6]hex-3-ene-3-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tricyclo[3.1.0.02,6]hex-3-ene-3-carbonitrile?
Yes, CoreyChem provides custom synthesis services for Tricyclo[3.1.0.02,6]hex-3-ene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.