2,5-Cyclohexadiene-1,4-dione, 2-butyl-6-methoxy-
TL;DR: 2,5-Cyclohexadiene-1,4-dione, 2-butyl-6-methoxy- (CAS 57855-18-2) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-6-methoxycyclohexa-2,5-diene-1,4-dione
Also Known As: JTNZEYFXPDFBBF-UHFFFAOYSA-, 2,5-Cyclohexadiene-1,4-dione, 2-butyl-6-methoxy-, 2-Butyl-6-methoxy-1,4-benzoquinone, 2-Methoxy-6-butyl-1,4-benzoquinone, 2-Butyl-6-methoxy-2,5-cyclohexadiene-1,4-dione
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 1.7851 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 310.49432 |
Chemical Identifiers
| CAS Number | 57855-18-2 |
|---|---|
| SMILES | CCCCC1=CC(=O)C=C(C1=O)OC |
Product Overview
2,5-Cyclohexadiene-1,4-dione, 2-butyl-6-methoxy- (CAS 57855-18-2), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: 2-butyl-6-methoxycyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2,5-Cyclohexadiene-1,4-dione, 2-butyl-6-methoxy-
Property Insights of 2,5-Cyclohexadiene-1,4-dione, 2-butyl-6-methoxy-
The XLogP value of 1.7851 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Cyclohexadiene-1,4-dione, 2-butyl-6-methoxy-. With a topological polar surface area (TPSA) of 43.37 Ų, 2,5-Cyclohexadiene-1,4-dione, 2-butyl-6-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Cyclohexadiene-1,4-dione, 2-butyl-6-methoxy- has 0 hydrogen bond donor(s) and 3 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-Cyclohexadiene-1,4-dione, 2-butyl-6-methoxy-?
The CAS number of 2,5-Cyclohexadiene-1,4-dione, 2-butyl-6-methoxy- is 57855-18-2.
What is the molecular formula of 2,5-Cyclohexadiene-1,4-dione, 2-butyl-6-methoxy-?
The molecular formula of 2,5-Cyclohexadiene-1,4-dione, 2-butyl-6-methoxy- is C11H14O3.
What is the molecular weight of 2,5-Cyclohexadiene-1,4-dione, 2-butyl-6-methoxy-?
The molecular weight of 2,5-Cyclohexadiene-1,4-dione, 2-butyl-6-methoxy- is 194.09 g/mol.
Where can I buy 2,5-Cyclohexadiene-1,4-dione, 2-butyl-6-methoxy-?
You can request a quote for 2,5-Cyclohexadiene-1,4-dione, 2-butyl-6-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Cyclohexadiene-1,4-dione, 2-butyl-6-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Cyclohexadiene-1,4-dione, 2-butyl-6-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.