2,4-Cyclohexadien-1-one, 6-carbonyl-
TL;DR: 2,4-Cyclohexadien-1-one, 6-carbonyl- (CAS 21083-33-0) is a chemical compound with molecular formula C7H4O2 and molecular weight 120.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(oxomethylidene)cyclohexa-2,4-dien-1-one
Also Known As: 2,4-Cyclohexadien-1-one, 6-carbonyl-, oxomethylene cyclohexadienone, 6-(oxomethylidene)cyclohexa-2,4-dien-1-one, 2,4-Cyclohexadien-1-one,6-carbonyl, 6-Carbonyl-2,4-cyclohexadiene-1-one
| Molecular Formula | C7H4O2 |
|---|---|
| Molecular Weight | 120.02 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 120.021126 |
| Heavy Atoms | 9 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 21083-33-0 |
|---|---|
| SMILES | C1=CC(=C=O)C(=O)C=C1 |
| InChIKey | MCYLBKWHWSBJCZ-UHFFFAOYSA-N |
Product Overview
2,4-Cyclohexadien-1-one, 6-carbonyl- (CAS 21083-33-0), with molecular formula C7H4O2 and molecular weight 120.02 g/mol. IUPAC: 6-(oxomethylidene)cyclohexa-2,4-dien-1-one.
Chemical Property Profile of 2,4-Cyclohexadien-1-one, 6-carbonyl-
Property Insights of 2,4-Cyclohexadien-1-one, 6-carbonyl-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Cyclohexadien-1-one, 6-carbonyl-. With a topological polar surface area (TPSA) of 34.1 Ų, 2,4-Cyclohexadien-1-one, 6-carbonyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Cyclohexadien-1-one, 6-carbonyl- 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 2,4-Cyclohexadien-1-one, 6-carbonyl-?
The CAS number of 2,4-Cyclohexadien-1-one, 6-carbonyl- is 21083-33-0.
What is the molecular formula of 2,4-Cyclohexadien-1-one, 6-carbonyl-?
The molecular formula of 2,4-Cyclohexadien-1-one, 6-carbonyl- is C7H4O2.
What is the molecular weight of 2,4-Cyclohexadien-1-one, 6-carbonyl-?
The molecular weight of 2,4-Cyclohexadien-1-one, 6-carbonyl- is 120.02 g/mol.
Where can I buy 2,4-Cyclohexadien-1-one, 6-carbonyl-?
You can request a quote for 2,4-Cyclohexadien-1-one, 6-carbonyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Cyclohexadien-1-one, 6-carbonyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Cyclohexadien-1-one, 6-carbonyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.