3-(2-Oxocyclohexyl)propanal
TL;DR: 3-(2-Oxocyclohexyl)propanal (CAS 2568-20-9) is a chemical compound with molecular formula C9H14O2 and molecular weight 154.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-oxocyclohexyl)propanal
Also Known As: 3-(2-Oxocyclohexyl)propanal, Cyclohexanepropanal, 2-oxo-, 2-Oxocyclohexanepropanal, 3-(2'-Oxocyclohexyl)propanal, 3-(2-Oxocyclohexyl)propanal #
| Molecular Formula | C9H14O2 |
|---|---|
| Molecular Weight | 154.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 154.09938 |
| Heavy Atoms | 11 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 2568-20-9 |
|---|---|
| SMILES | C1CCC(=O)C(C1)CCC=O |
| InChIKey | LCQPKXSKRXVVMA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Oxocyclohexyl)propanal (CAS 2568-20-9), with molecular formula C9H14O2 and molecular weight 154.10 g/mol. IUPAC: 3-(2-oxocyclohexyl)propanal.
Chemical Property Profile of 3-(2-Oxocyclohexyl)propanal
Property Insights of 3-(2-Oxocyclohexyl)propanal
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Oxocyclohexyl)propanal. With a topological polar surface area (TPSA) of 34.1 Ų, 3-(2-Oxocyclohexyl)propanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Oxocyclohexyl)propanal 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 3-(2-Oxocyclohexyl)propanal?
The CAS number of 3-(2-Oxocyclohexyl)propanal is 2568-20-9.
What is the molecular formula of 3-(2-Oxocyclohexyl)propanal?
The molecular formula of 3-(2-Oxocyclohexyl)propanal is C9H14O2.
What is the molecular weight of 3-(2-Oxocyclohexyl)propanal?
The molecular weight of 3-(2-Oxocyclohexyl)propanal is 154.10 g/mol.
Where can I buy 3-(2-Oxocyclohexyl)propanal?
You can request a quote for 3-(2-Oxocyclohexyl)propanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Oxocyclohexyl)propanal?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Oxocyclohexyl)propanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.