2,4-Dimethylcyclopentanone
TL;DR: 2,4-Dimethylcyclopentanone (CAS 1121-33-1) is a chemical compound with molecular formula CC1CC(C(=O)C1)C and molecular weight 112.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dimethylcyclopentan-1-one
Also Known As: 2,4-Dimethylcyclopentanone, 2,4-dimethylcyclopentan-1-one, Cyclopentanone, 2,4-dimethyl-, 2,4-Dimethylcyclopentanol, 2,4-Dimethyl-cyclopentanon
| Molecular Formula | CC1CC(C(=O)C1)C |
|---|---|
| Molecular Weight | 112.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.08881 |
| Heavy Atoms | 8 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 1121-33-1 |
|---|---|
| SMILES | CC1CC(C(=O)C1)C |
| InChIKey | UKJQTRVEZWBIRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dimethylcyclopentanone (CAS 1121-33-1), with molecular formula CC1CC(C(=O)C1)C and molecular weight 112.09 g/mol. IUPAC: 2,4-dimethylcyclopentan-1-one.
Chemical Property Profile of 2,4-Dimethylcyclopentanone
Property Insights of 2,4-Dimethylcyclopentanone
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dimethylcyclopentanone. With a topological polar surface area (TPSA) of 17.1 Ų, 2,4-Dimethylcyclopentanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dimethylcyclopentanone 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 2,4-Dimethylcyclopentanone?
The CAS number of 2,4-Dimethylcyclopentanone is 1121-33-1.
What is the molecular formula of 2,4-Dimethylcyclopentanone?
The molecular formula of 2,4-Dimethylcyclopentanone is CC1CC(C(=O)C1)C.
What is the molecular weight of 2,4-Dimethylcyclopentanone?
The molecular weight of 2,4-Dimethylcyclopentanone is 112.09 g/mol.
Where can I buy 2,4-Dimethylcyclopentanone?
You can request a quote for 2,4-Dimethylcyclopentanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dimethylcyclopentanone?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethylcyclopentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.