1-Bicyclo(2.2.1)hept-2-ylethanone
TL;DR: 1-Bicyclo(2.2.1)hept-2-ylethanone (CAS 58654-66-3) is a chemical compound with molecular formula C9H14O and molecular weight 138.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-bicyclo[2.2.1]heptanyl)ethanone
Also Known As: 1-Bicyclo[2.2.1]hept-2-ylethanone, Methyl norbornyl ketone, 2-Acetylnorbornane, 1-norbornan-2-ylethanone, 2-acetylbicyclo[2.2.1]heptane
| Molecular Formula | C9H14O |
|---|---|
| Molecular Weight | 138.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.10446 |
| Heavy Atoms | 10 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 58654-66-3 |
|---|---|
| SMILES | CC(=O)C1CC2CCC1C2 |
| InChIKey | NDZIFIKZHLSCFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Bicyclo(2.2.1)hept-2-ylethanone (CAS 58654-66-3), with molecular formula C9H14O and molecular weight 138.10 g/mol. IUPAC: 1-(2-bicyclo[2.2.1]heptanyl)ethanone.
Chemical Property Profile of 1-Bicyclo(2.2.1)hept-2-ylethanone
Property Insights of 1-Bicyclo(2.2.1)hept-2-ylethanone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Bicyclo(2.2.1)hept-2-ylethanone. With a topological polar surface area (TPSA) of 17.1 Ų, 1-Bicyclo(2.2.1)hept-2-ylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bicyclo(2.2.1)hept-2-ylethanone 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
Frequently Asked Questions
What is the CAS number of 1-Bicyclo(2.2.1)hept-2-ylethanone?
The CAS number of 1-Bicyclo(2.2.1)hept-2-ylethanone is 58654-66-3.
What is the molecular formula of 1-Bicyclo(2.2.1)hept-2-ylethanone?
The molecular formula of 1-Bicyclo(2.2.1)hept-2-ylethanone is C9H14O.
What is the molecular weight of 1-Bicyclo(2.2.1)hept-2-ylethanone?
The molecular weight of 1-Bicyclo(2.2.1)hept-2-ylethanone is 138.10 g/mol.
Where can I buy 1-Bicyclo(2.2.1)hept-2-ylethanone?
You can request a quote for 1-Bicyclo(2.2.1)hept-2-ylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bicyclo(2.2.1)hept-2-ylethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-Bicyclo(2.2.1)hept-2-ylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.