1,3-Cyclohexanedione, 2-p-methoxyphenacyl-
TL;DR: 1,3-Cyclohexanedione, 2-p-methoxyphenacyl- (CAS 52736-71-7) is a chemical compound with molecular formula C15H16O4 and molecular weight 260.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclohexane-1,3-dione
Also Known As: 1,3-Cyclohexanedione, 2-p-methoxyphenacyl-, 2-p-Methoxyphenacylcyclohexane-1,3-dione, 2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclohexane-1,3-dione, 2-[2-2-oxoethyl]-1,3-cyclohexanedione, 2-[2- -2-oxoethyl]-1,3-cyclohexanedione
| Molecular Formula | C15H16O4 |
|---|---|
| Molecular Weight | 260.10 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.10486 |
| Heavy Atoms | 19 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 52736-71-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CC2C(=O)CCCC2=O |
| InChIKey | CDGMHSBSEMTFNG-UHFFFAOYSA-N |
Product Overview
1,3-Cyclohexanedione, 2-p-methoxyphenacyl- (CAS 52736-71-7), with molecular formula C15H16O4 and molecular weight 260.10 g/mol. IUPAC: 2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclohexane-1,3-dione.
Chemical Property Profile of 1,3-Cyclohexanedione, 2-p-methoxyphenacyl-
Property Insights of 1,3-Cyclohexanedione, 2-p-methoxyphenacyl-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Cyclohexanedione, 2-p-methoxyphenacyl-. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Cyclohexanedione, 2-p-methoxyphenacyl-. Following Lipinski's Rule of Five, 1,3-Cyclohexanedione, 2-p-methoxyphenacyl- has 0 hydrogen bond donor(s) and 4 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 1,3-Cyclohexanedione, 2-p-methoxyphenacyl-?
The CAS number of 1,3-Cyclohexanedione, 2-p-methoxyphenacyl- is 52736-71-7.
What is the molecular formula of 1,3-Cyclohexanedione, 2-p-methoxyphenacyl-?
The molecular formula of 1,3-Cyclohexanedione, 2-p-methoxyphenacyl- is C15H16O4.
What is the molecular weight of 1,3-Cyclohexanedione, 2-p-methoxyphenacyl-?
The molecular weight of 1,3-Cyclohexanedione, 2-p-methoxyphenacyl- is 260.10 g/mol.
Where can I buy 1,3-Cyclohexanedione, 2-p-methoxyphenacyl-?
You can request a quote for 1,3-Cyclohexanedione, 2-p-methoxyphenacyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Cyclohexanedione, 2-p-methoxyphenacyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Cyclohexanedione, 2-p-methoxyphenacyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.