1,4-Cyclohex-2-enedione
TL;DR: 1,4-Cyclohex-2-enedione (CAS 4505-38-8) is a chemical compound with molecular formula C6H6O2 and molecular weight 110.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohex-2-ene-1,4-dione
Also Known As: 2-Cyclohexene-1,4-dione, cyclohex-2-ene-1,4-dione, 1,4-Cyclohex-2-enedione, dihydro-quinone, Cyclohex-2-en-1,4-dion
| Molecular Formula | C6H6O2 |
|---|---|
| Molecular Weight | 110.04 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 110.03678 |
| Heavy Atoms | 8 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 4505-38-8 |
|---|---|
| SMILES | C1CC(=O)C=CC1=O |
| InChIKey | GPMMYQITJVUZAT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Cyclohex-2-enedione (CAS 4505-38-8), with molecular formula C6H6O2 and molecular weight 110.04 g/mol. IUPAC: cyclohex-2-ene-1,4-dione.
Chemical Property Profile of 1,4-Cyclohex-2-enedione
Property Insights of 1,4-Cyclohex-2-enedione
The XLogP value of -0.3 indicates that 1,4-Cyclohex-2-enedione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 34.1 Ų, 1,4-Cyclohex-2-enedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Cyclohex-2-enedione 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 1,4-Cyclohex-2-enedione?
The CAS number of 1,4-Cyclohex-2-enedione is 4505-38-8.
What is the molecular formula of 1,4-Cyclohex-2-enedione?
The molecular formula of 1,4-Cyclohex-2-enedione is C6H6O2.
What is the molecular weight of 1,4-Cyclohex-2-enedione?
The molecular weight of 1,4-Cyclohex-2-enedione is 110.04 g/mol.
Where can I buy 1,4-Cyclohex-2-enedione?
You can request a quote for 1,4-Cyclohex-2-enedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Cyclohex-2-enedione?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Cyclohex-2-enedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.