3-Acetonylcyclohexanone
TL;DR: 3-Acetonylcyclohexanone (CAS 84308-29-2) 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-oxopropyl)cyclohexan-1-one
Also Known As: 3-Acetonylcyclohexanone, 3-(2-oxopropyl)cyclohexan-1-one, acetonyl-3 cyclohexanone, 3-acetonylcyclohexan-1-one, 3-(2-Oxopropyl)cyclohexanone
| Molecular Formula | C9H14O2 |
|---|---|
| Molecular Weight | 154.10 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 154.09938 |
| Heavy Atoms | 11 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 84308-29-2 |
|---|---|
| SMILES | CC(=O)CC1CCCC(=O)C1 |
| InChIKey | RJMIBGCTYAZHJV-UHFFFAOYSA-N |
Product Overview
3-Acetonylcyclohexanone (CAS 84308-29-2), with molecular formula C9H14O2 and molecular weight 154.10 g/mol. IUPAC: 3-(2-oxopropyl)cyclohexan-1-one.
Chemical Property Profile of 3-Acetonylcyclohexanone
Property Insights of 3-Acetonylcyclohexanone
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetonylcyclohexanone. With a topological polar surface area (TPSA) of 34.1 Ų, 3-Acetonylcyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetonylcyclohexanone 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-Acetonylcyclohexanone?
The CAS number of 3-Acetonylcyclohexanone is 84308-29-2.
What is the molecular formula of 3-Acetonylcyclohexanone?
The molecular formula of 3-Acetonylcyclohexanone is C9H14O2.
What is the molecular weight of 3-Acetonylcyclohexanone?
The molecular weight of 3-Acetonylcyclohexanone is 154.10 g/mol.
Where can I buy 3-Acetonylcyclohexanone?
You can request a quote for 3-Acetonylcyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetonylcyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetonylcyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.