![2-Hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptane-2-carbonitrile structure](/static/products/104/104179-07-9.webp)
2-Hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptane-2-carbonitrile
TL;DR: 2-Hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptane-2-carbonitrile (CAS 104179-07-9) is a chemical compound with molecular formula C11H17NO and molecular weight 179.13101 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptane-2-carbonitrile
Also Known As: 2-hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptane-2-carbonitrile, AE-534/30058060, 3-hydroxy-2,2,4-trimethylbicyclo[2.2.1]heptane-3-carbonitrile
Technical Specifications
| Molecular Formula | C11H17NO |
| Molecular Weight | 179.13101 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.13101 Da |
| Heavy Atoms | 13 |
| Complexity | 300.0 |
| SMILES | CC1(C2CCC(C2)(C1(C#N)O)C)C |
| InChIKey | BTQHVUOBALCHNI-UHFFFAOYSA-N |
Chemical Property Profile of 2-Hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptane-2-carbonitrile
Property Insights of 2-Hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptane-2-carbonitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptane-2-carbonitrile. With a topological polar surface area (TPSA) of 44.0 Ų, 2-Hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptane-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptane-2-carbonitrile has 1 hydrogen bond donor(s) and 2 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-Hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptane-2-carbonitrile?
The CAS number of 2-Hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptane-2-carbonitrile is 104179-07-9.
What is the molecular formula of 2-Hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptane-2-carbonitrile?
The molecular formula of 2-Hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptane-2-carbonitrile is C11H17NO.
What is the molecular weight of 2-Hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptane-2-carbonitrile?
The molecular weight of 2-Hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptane-2-carbonitrile is 179.13101 g/mol.
Where can I buy 2-Hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptane-2-carbonitrile?
You can request a quote for 2-Hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptane-2-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptane-2-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 2-Hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptane-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.