Bicyclo(3.3.1)nonan-3-one
TL;DR: Bicyclo(3.3.1)nonan-3-one (CAS 10042-71-4) 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.
bicyclo[3.3.1]nonan-3-one
Also Known As: Bicyclo[3.3.1]nonan-3-one, Bicyclo[3.3.1]nonane-3-one, Bicyclo(3.3.1)nonan-3-one, J1.082.296C, RefChem:119728
| Molecular Formula | C9H14O |
|---|---|
| Molecular Weight | 138.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.10446 |
| Heavy Atoms | 10 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 10042-71-4 |
|---|---|
| SMILES | C1CC2CC(C1)CC(=O)C2 |
| InChIKey | ANFLIDKLELMAAQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bicyclo(3.3.1)nonan-3-one (CAS 10042-71-4), with molecular formula C9H14O and molecular weight 138.10 g/mol. IUPAC: bicyclo[3.3.1]nonan-3-one.
Chemical Property Profile of Bicyclo(3.3.1)nonan-3-one
Property Insights of Bicyclo(3.3.1)nonan-3-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo(3.3.1)nonan-3-one. With a topological polar surface area (TPSA) of 17.1 Ų, Bicyclo(3.3.1)nonan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo(3.3.1)nonan-3-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)nonan-3-one?
The CAS number of Bicyclo(3.3.1)nonan-3-one is 10042-71-4.
What is the molecular formula of Bicyclo(3.3.1)nonan-3-one?
The molecular formula of Bicyclo(3.3.1)nonan-3-one is C9H14O.
What is the molecular weight of Bicyclo(3.3.1)nonan-3-one?
The molecular weight of Bicyclo(3.3.1)nonan-3-one is 138.10 g/mol.
Where can I buy Bicyclo(3.3.1)nonan-3-one?
You can request a quote for Bicyclo(3.3.1)nonan-3-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)nonan-3-one?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo(3.3.1)nonan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.