1,4-Cyclohexadiene-1,2-diacetic acid, 4,5-dimethyl-3,6-dioxo-, diphenyl ester
TL;DR: 1,4-Cyclohexadiene-1,2-diacetic acid, 4,5-dimethyl-3,6-dioxo-, diphenyl ester (CAS 64236-16-4) is a chemical compound with molecular formula C24H20O6 and molecular weight 404.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 2-[4,5-dimethyl-3,6-dioxo-2-(2-oxo-2-phenoxyethyl)cyclohexa-1,4-dien-1-yl]acetate
Also Known As: Diphenyl 4,5-dimethyl-3,6-dioxo-1,4-cyclohexadiene-1,2-diacetate, 1,4-Cyclohexadiene-1,2-diacetic acid, 4,5-dimethyl-3,6-dioxo-, diphenyl ester, phenyl 2-[4,5-dimethyl-3,6-dioxo-2-(2-oxo-2-phenoxyethyl)cyclohexa-1,4-dien-1-yl]acetate, phenyl2-[4,5-dimethyl-3,6-dioxo-2- -1-cyclohexa-1,4-dienyl]acetate, 1,4-Cyclohexadiene-1,2-diaceticacid, 4,5-dimethyl-3,6-dioxo-, 1,2-diphenyl ester
| Molecular Formula | C24H20O6 |
|---|---|
| Molecular Weight | 404.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 404.12598 |
| Heavy Atoms | 30 |
| Complexity | 712.0 |
Chemical Identifiers
| CAS Number | 64236-16-4 |
|---|---|
| SMILES | CC1=C(C(=O)C(=C(C1=O)CC(=O)OC2=CC=CC=C2)CC(=O)OC3=CC=CC=C3)C |
| InChIKey | YTRYZIQEUJQHCE-UHFFFAOYSA-N |
Product Overview
1,4-Cyclohexadiene-1,2-diacetic acid, 4,5-dimethyl-3,6-dioxo-, diphenyl ester (CAS 64236-16-4), with molecular formula C24H20O6 and molecular weight 404.13 g/mol. IUPAC: phenyl 2-[4,5-dimethyl-3,6-dioxo-2-(2-oxo-2-phenoxyethyl)cyclohexa-1,4-dien-1-yl]acetate.
Chemical Property Profile of 1,4-Cyclohexadiene-1,2-diacetic acid, 4,5-dimethyl-3,6-dioxo-, diphenyl ester
Property Insights of 1,4-Cyclohexadiene-1,2-diacetic acid, 4,5-dimethyl-3,6-dioxo-, diphenyl ester
The XLogP value of 3.5 indicates that 1,4-Cyclohexadiene-1,2-diacetic acid, 4,5-dimethyl-3,6-dioxo-, diphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Cyclohexadiene-1,2-diacetic acid, 4,5-dimethyl-3,6-dioxo-, diphenyl ester. Following Lipinski's Rule of Five, 1,4-Cyclohexadiene-1,2-diacetic acid, 4,5-dimethyl-3,6-dioxo-, diphenyl ester has 0 hydrogen bond donor(s) and 6 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 1,4-Cyclohexadiene-1,2-diacetic acid, 4,5-dimethyl-3,6-dioxo-, diphenyl ester?
The CAS number of 1,4-Cyclohexadiene-1,2-diacetic acid, 4,5-dimethyl-3,6-dioxo-, diphenyl ester is 64236-16-4.
What is the molecular formula of 1,4-Cyclohexadiene-1,2-diacetic acid, 4,5-dimethyl-3,6-dioxo-, diphenyl ester?
The molecular formula of 1,4-Cyclohexadiene-1,2-diacetic acid, 4,5-dimethyl-3,6-dioxo-, diphenyl ester is C24H20O6.
What is the molecular weight of 1,4-Cyclohexadiene-1,2-diacetic acid, 4,5-dimethyl-3,6-dioxo-, diphenyl ester?
The molecular weight of 1,4-Cyclohexadiene-1,2-diacetic acid, 4,5-dimethyl-3,6-dioxo-, diphenyl ester is 404.13 g/mol.
Where can I buy 1,4-Cyclohexadiene-1,2-diacetic acid, 4,5-dimethyl-3,6-dioxo-, diphenyl ester?
You can request a quote for 1,4-Cyclohexadiene-1,2-diacetic acid, 4,5-dimethyl-3,6-dioxo-, diphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Cyclohexadiene-1,2-diacetic acid, 4,5-dimethyl-3,6-dioxo-, diphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Cyclohexadiene-1,2-diacetic acid, 4,5-dimethyl-3,6-dioxo-, diphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.