2,5-Cyclohexadien-1-one, 4,4-dimethyl-
TL;DR: 2,5-Cyclohexadien-1-one, 4,4-dimethyl- (CAS 1073-14-9) is a chemical compound with molecular formula C8H10O and molecular weight 122.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethylcyclohexa-2,5-dien-1-one
Also Known As: 4,4-Dimethylcyclohexadienone, 4,4-dimethylcyclohexa-2,5-dien-1-one, 2,5-cyclohexadien-1-one, 4,4-dimethyl-, 4,4-dimethyl-2,5-cyclohexadienone, 4,4-dimethylcyclohexa-2,5-dienone
| Molecular Formula | C8H10O |
|---|---|
| Molecular Weight | 122.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 122.073166 |
| Heavy Atoms | 9 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 1073-14-9 |
|---|---|
| SMILES | CC1(C=CC(=O)C=C1)C |
| InChIKey | YKDJBIPPVNMAGR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Cyclohexadien-1-one, 4,4-dimethyl- (CAS 1073-14-9), with molecular formula C8H10O and molecular weight 122.07 g/mol. IUPAC: 4,4-dimethylcyclohexa-2,5-dien-1-one.
Chemical Property Profile of 2,5-Cyclohexadien-1-one, 4,4-dimethyl-
Property Insights of 2,5-Cyclohexadien-1-one, 4,4-dimethyl-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Cyclohexadien-1-one, 4,4-dimethyl-. With a topological polar surface area (TPSA) of 17.1 Ų, 2,5-Cyclohexadien-1-one, 4,4-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Cyclohexadien-1-one, 4,4-dimethyl- 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 2,5-Cyclohexadien-1-one, 4,4-dimethyl-?
The CAS number of 2,5-Cyclohexadien-1-one, 4,4-dimethyl- is 1073-14-9.
What is the molecular formula of 2,5-Cyclohexadien-1-one, 4,4-dimethyl-?
The molecular formula of 2,5-Cyclohexadien-1-one, 4,4-dimethyl- is C8H10O.
What is the molecular weight of 2,5-Cyclohexadien-1-one, 4,4-dimethyl-?
The molecular weight of 2,5-Cyclohexadien-1-one, 4,4-dimethyl- is 122.07 g/mol.
Where can I buy 2,5-Cyclohexadien-1-one, 4,4-dimethyl-?
You can request a quote for 2,5-Cyclohexadien-1-one, 4,4-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Cyclohexadien-1-one, 4,4-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Cyclohexadien-1-one, 4,4-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.