![Bicyclo[2.2.1]heptane-1-carbonitrile, 4,7,7-trimethyl-3-oxo- structure](/static/products/886/88653-54-7.png)
Bicyclo[2.2.1]heptane-1-carbonitrile, 4,7,7-trimethyl-3-oxo-
TL;DR: Bicyclo[2.2.1]heptane-1-carbonitrile, 4,7,7-trimethyl-3-oxo- (CAS 88653-54-7) is a chemical compound with molecular formula C11H15NO and molecular weight 177.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonitrile
Also Known As: Bicyclo[2.2.1]heptane-1-carbonitrile, 4,7,7-trimethyl-3-oxo-, 1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-4-carbonitrile, 4,7,7-Trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonitrile, 4,7,7-Trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonitrile #
| Molecular Formula | C11H15NO |
|---|---|
| Molecular Weight | 177.12 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.11537 |
| Heavy Atoms | 13 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 88653-54-7 |
|---|---|
| SMILES | CC1(C2(CCC1(CC2=O)C#N)C)C |
| InChIKey | SEBZADWFIXJMGC-UHFFFAOYSA-N |
Product Overview
Bicyclo[2.2.1]heptane-1-carbonitrile, 4,7,7-trimethyl-3-oxo- (CAS 88653-54-7), with molecular formula C11H15NO and molecular weight 177.12 g/mol. IUPAC: 4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonitrile.
Chemical Property Profile of Bicyclo[2.2.1]heptane-1-carbonitrile, 4,7,7-trimethyl-3-oxo-
Property Insights of Bicyclo[2.2.1]heptane-1-carbonitrile, 4,7,7-trimethyl-3-oxo-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo[2.2.1]heptane-1-carbonitrile, 4,7,7-trimethyl-3-oxo-. With a topological polar surface area (TPSA) of 40.9 Ų, Bicyclo[2.2.1]heptane-1-carbonitrile, 4,7,7-trimethyl-3-oxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo[2.2.1]heptane-1-carbonitrile, 4,7,7-trimethyl-3-oxo- has 0 hydrogen bond donor(s) and 2 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 Bicyclo[2.2.1]heptane-1-carbonitrile, 4,7,7-trimethyl-3-oxo-?
The CAS number of Bicyclo[2.2.1]heptane-1-carbonitrile, 4,7,7-trimethyl-3-oxo- is 88653-54-7.
What is the molecular formula of Bicyclo[2.2.1]heptane-1-carbonitrile, 4,7,7-trimethyl-3-oxo-?
The molecular formula of Bicyclo[2.2.1]heptane-1-carbonitrile, 4,7,7-trimethyl-3-oxo- is C11H15NO.
What is the molecular weight of Bicyclo[2.2.1]heptane-1-carbonitrile, 4,7,7-trimethyl-3-oxo-?
The molecular weight of Bicyclo[2.2.1]heptane-1-carbonitrile, 4,7,7-trimethyl-3-oxo- is 177.12 g/mol.
Where can I buy Bicyclo[2.2.1]heptane-1-carbonitrile, 4,7,7-trimethyl-3-oxo-?
You can request a quote for Bicyclo[2.2.1]heptane-1-carbonitrile, 4,7,7-trimethyl-3-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo[2.2.1]heptane-1-carbonitrile, 4,7,7-trimethyl-3-oxo-?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo[2.2.1]heptane-1-carbonitrile, 4,7,7-trimethyl-3-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.