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Bicyclo[3.3.1]non-2-en-9-one
TL;DR: Bicyclo[3.3.1]non-2-en-9-one (CAS 4844-11-5) is a chemical compound with molecular formula C9H12O and molecular weight 136.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bicyclo[3.3.1]non-2-en-9-one
Also Known As: Bicyclo[3.3.1]non-2-en-9-one, Bicyclo[3.3.1]none-2-en-9-one, bicyclo[3.3.1]non-3-en-9-one, BICYCLO(3.3.1)NON-2-EN-9-ONE, Bicyclo[3.3.1]nona-2,2-dien-9-one
| Molecular Formula | C9H12O |
|---|---|
| Molecular Weight | 136.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.08882 |
| Heavy Atoms | 10 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 4844-11-5 |
|---|---|
| SMILES | C1CC2CC=CC(C1)C2=O |
| InChIKey | JBABOCXXIKVIAK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bicyclo[3.3.1]non-2-en-9-one (CAS 4844-11-5), with molecular formula C9H12O and molecular weight 136.09 g/mol. IUPAC: bicyclo[3.3.1]non-2-en-9-one.
Chemical Property Profile of Bicyclo[3.3.1]non-2-en-9-one
Property Insights of Bicyclo[3.3.1]non-2-en-9-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo[3.3.1]non-2-en-9-one. With a topological polar surface area (TPSA) of 17.1 Ų, Bicyclo[3.3.1]non-2-en-9-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo[3.3.1]non-2-en-9-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[3.3.1]non-2-en-9-one?
The CAS number of Bicyclo[3.3.1]non-2-en-9-one is 4844-11-5.
What is the molecular formula of Bicyclo[3.3.1]non-2-en-9-one?
The molecular formula of Bicyclo[3.3.1]non-2-en-9-one is C9H12O.
What is the molecular weight of Bicyclo[3.3.1]non-2-en-9-one?
The molecular weight of Bicyclo[3.3.1]non-2-en-9-one is 136.09 g/mol.
Where can I buy Bicyclo[3.3.1]non-2-en-9-one?
You can request a quote for Bicyclo[3.3.1]non-2-en-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo[3.3.1]non-2-en-9-one?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo[3.3.1]non-2-en-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.