Chlorodimedone
TL;DR: Chlorodimedone (CAS 7298-89-7) is a chemical compound with molecular formula C8H11ClO2 and molecular weight 174.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5,5-dimethylcyclohexane-1,3-dione
Also Known As: chlorodimedone, 2-Chlorodimedone, Monochlorodimedone, Monochlorodimedon, 2-chloro-5,5-dimethylcyclohexane-1,3-dione
| Molecular Formula | C8H11ClO2 |
|---|---|
| Molecular Weight | 174.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 174.04475 |
| Heavy Atoms | 11 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 7298-89-7 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)Cl)C |
| InChIKey | VOBIHUAWDXUCPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chlorodimedone (CAS 7298-89-7), with molecular formula C8H11ClO2 and molecular weight 174.04 g/mol. IUPAC: 2-chloro-5,5-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of Chlorodimedone
Property Insights of Chlorodimedone
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chlorodimedone. With a topological polar surface area (TPSA) of 34.1 Ų, Chlorodimedone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlorodimedone 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 Chlorodimedone?
The CAS number of Chlorodimedone is 7298-89-7.
What is the molecular formula of Chlorodimedone?
The molecular formula of Chlorodimedone is C8H11ClO2.
What is the molecular weight of Chlorodimedone?
The molecular weight of Chlorodimedone is 174.04 g/mol.
Where can I buy Chlorodimedone?
You can request a quote for Chlorodimedone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorodimedone?
Yes, KEHONG BIO provides custom synthesis services for Chlorodimedone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.