Cyclohexadienone
TL;DR: Cyclohexadienone (CAS 24599-57-3) is a chemical compound with molecular formula C6H6O and molecular weight 94.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexa-2,4-dien-1-one
Also Known As: 2,4-Cyclohexadienone, Cyclohexadienone, benzene one, cyclohexa-2,4-dien-1-one, CYCLOHEXANONE
| Molecular Formula | C6H6O |
|---|---|
| Molecular Weight | 94.04 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 94.04186 |
| Heavy Atoms | 7 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 24599-57-3 |
|---|---|
| SMILES | C1C=CC=CC1=O |
| InChIKey | WQPDQJCBHQPNCZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexadienone (CAS 24599-57-3), with molecular formula C6H6O and molecular weight 94.04 g/mol. IUPAC: cyclohexa-2,4-dien-1-one.
Chemical Property Profile of Cyclohexadienone
Property Insights of Cyclohexadienone
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexadienone. With a topological polar surface area (TPSA) of 17.1 Ų, Cyclohexadienone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexadienone 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 Cyclohexadienone?
The CAS number of Cyclohexadienone is 24599-57-3.
What is the molecular formula of Cyclohexadienone?
The molecular formula of Cyclohexadienone is C6H6O.
What is the molecular weight of Cyclohexadienone?
The molecular weight of Cyclohexadienone is 94.04 g/mol.
Where can I buy Cyclohexadienone?
You can request a quote for Cyclohexadienone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexadienone?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexadienone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.