Bicyclo(2.2.1)hept-5-en-2-one
TL;DR: Bicyclo(2.2.1)hept-5-en-2-one (CAS 16620-79-4) is a chemical compound with molecular formula C1C2CC(=O)C1C=C2 and molecular weight 108.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bicyclo[2.2.1]hept-5-en-2-one
Also Known As: Bicyclo[2.2.1]hept-5-en-2-one, norbornenone, Dehydronorcamphor, 2-Norbornenone, 5-Norbornen-2-one
| Molecular Formula | C1C2CC(=O)C1C=C2 |
|---|---|
| Molecular Weight | 108.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 108.05752 |
| Heavy Atoms | 8 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 16620-79-4 |
|---|---|
| SMILES | C1C2CC(=O)C1C=C2 |
| InChIKey | HUQXEIFQYCVOPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bicyclo(2.2.1)hept-5-en-2-one (CAS 16620-79-4), with molecular formula C1C2CC(=O)C1C=C2 and molecular weight 108.06 g/mol. IUPAC: bicyclo[2.2.1]hept-5-en-2-one.
Chemical Property Profile of Bicyclo(2.2.1)hept-5-en-2-one
Property Insights of Bicyclo(2.2.1)hept-5-en-2-one
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo(2.2.1)hept-5-en-2-one. With a topological polar surface area (TPSA) of 17.1 Ų, Bicyclo(2.2.1)hept-5-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo(2.2.1)hept-5-en-2-one 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 Bicyclo(2.2.1)hept-5-en-2-one?
The CAS number of Bicyclo(2.2.1)hept-5-en-2-one is 16620-79-4.
What is the molecular formula of Bicyclo(2.2.1)hept-5-en-2-one?
The molecular formula of Bicyclo(2.2.1)hept-5-en-2-one is C1C2CC(=O)C1C=C2.
What is the molecular weight of Bicyclo(2.2.1)hept-5-en-2-one?
The molecular weight of Bicyclo(2.2.1)hept-5-en-2-one is 108.06 g/mol.
Where can I buy Bicyclo(2.2.1)hept-5-en-2-one?
You can request a quote for Bicyclo(2.2.1)hept-5-en-2-one 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)hept-5-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo(2.2.1)hept-5-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.