2,5-Cyclohexadien-1-one, 4-ethyl-3,4-dimethyl-
TL;DR: 2,5-Cyclohexadien-1-one, 4-ethyl-3,4-dimethyl- (CAS 17429-35-5) is a chemical compound with molecular formula C10H14O and molecular weight 150.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-3,4-dimethylcyclohexa-2,5-dien-1-one
Also Known As: 4-ethyl-3,4-dimethylcyclohexa-2,5-dien-1-one, 2,5-Cyclohexadien-1-one, 4-ethyl-3,4-dimethyl-, 4-Ethyl-3,4-dimethyl-2,5-cyclohexadien-1-one, 4-ethyl-3,4-dimethylcyclohexa-2,5-dienone, 4-Ethyl-4,5-dimethyl-cyclohexa-2,5-dienon
| Molecular Formula | C10H14O |
|---|---|
| Molecular Weight | 150.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 150.10446 |
| Heavy Atoms | 11 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 17429-35-5 |
|---|---|
| SMILES | CCC1(C=CC(=O)C=C1C)C |
| InChIKey | CQBBARRJOASBCR-UHFFFAOYSA-N |
Product Overview
2,5-Cyclohexadien-1-one, 4-ethyl-3,4-dimethyl- (CAS 17429-35-5), with molecular formula C10H14O and molecular weight 150.10 g/mol. IUPAC: 4-ethyl-3,4-dimethylcyclohexa-2,5-dien-1-one.
Chemical Property Profile of 2,5-Cyclohexadien-1-one, 4-ethyl-3,4-dimethyl-
Property Insights of 2,5-Cyclohexadien-1-one, 4-ethyl-3,4-dimethyl-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Cyclohexadien-1-one, 4-ethyl-3,4-dimethyl-. With a topological polar surface area (TPSA) of 17.1 Ų, 2,5-Cyclohexadien-1-one, 4-ethyl-3,4-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Cyclohexadien-1-one, 4-ethyl-3,4-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-ethyl-3,4-dimethyl-?
The CAS number of 2,5-Cyclohexadien-1-one, 4-ethyl-3,4-dimethyl- is 17429-35-5.
What is the molecular formula of 2,5-Cyclohexadien-1-one, 4-ethyl-3,4-dimethyl-?
The molecular formula of 2,5-Cyclohexadien-1-one, 4-ethyl-3,4-dimethyl- is C10H14O.
What is the molecular weight of 2,5-Cyclohexadien-1-one, 4-ethyl-3,4-dimethyl-?
The molecular weight of 2,5-Cyclohexadien-1-one, 4-ethyl-3,4-dimethyl- is 150.10 g/mol.
Where can I buy 2,5-Cyclohexadien-1-one, 4-ethyl-3,4-dimethyl-?
You can request a quote for 2,5-Cyclohexadien-1-one, 4-ethyl-3,4-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-ethyl-3,4-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Cyclohexadien-1-one, 4-ethyl-3,4-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.