alpha-Oxocyclohexaneacetaldehyde
TL;DR: alpha-Oxocyclohexaneacetaldehyde (CAS 4354-48-7) is a chemical compound with molecular formula C8H12O2 and molecular weight 140.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyclohexyl-2-oxoacetaldehyde
Also Known As: Cyclohexaneacetaldehyde, 2-cyclohexyl-2-oxoacetaldehyde, Cyclohexyl(oxo)acetaldehyde, 1-Cyclohexyl-1,2-ethanedione, alpha-Oxocyclohexaneacetaldehyde
| Molecular Formula | C8H12O2 |
|---|---|
| Molecular Weight | 140.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 140.08372 |
| Heavy Atoms | 10 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 4354-48-7 |
|---|---|
| SMILES | C1CCC(CC1)C(=O)C=O |
| InChIKey | JIEOJTPICCAQTH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Oxocyclohexaneacetaldehyde (CAS 4354-48-7), with molecular formula C8H12O2 and molecular weight 140.08 g/mol. IUPAC: 2-cyclohexyl-2-oxoacetaldehyde.
Chemical Property Profile of alpha-Oxocyclohexaneacetaldehyde
Property Insights of alpha-Oxocyclohexaneacetaldehyde
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Oxocyclohexaneacetaldehyde. With a topological polar surface area (TPSA) of 34.1 Ų, alpha-Oxocyclohexaneacetaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Oxocyclohexaneacetaldehyde 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 alpha-Oxocyclohexaneacetaldehyde?
The CAS number of alpha-Oxocyclohexaneacetaldehyde is 4354-48-7.
What is the molecular formula of alpha-Oxocyclohexaneacetaldehyde?
The molecular formula of alpha-Oxocyclohexaneacetaldehyde is C8H12O2.
What is the molecular weight of alpha-Oxocyclohexaneacetaldehyde?
The molecular weight of alpha-Oxocyclohexaneacetaldehyde is 140.08 g/mol.
Where can I buy alpha-Oxocyclohexaneacetaldehyde?
You can request a quote for alpha-Oxocyclohexaneacetaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Oxocyclohexaneacetaldehyde?
Yes, KEHONG BIO provides custom synthesis services for alpha-Oxocyclohexaneacetaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.