2,5-Cyclohexadiene-1,4-dione, 5-((acetyloxy)methyl)-2,3-dimethyl-
TL;DR: 2,5-Cyclohexadiene-1,4-dione, 5-((acetyloxy)methyl)-2,3-dimethyl- (CAS 40870-69-7) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl acetate
Also Known As: 2,3-Dimethyl-5-acetoxymethyl-p-benzoquinone, (4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl acetate, 2,3-Dimethyl-5-acetoxymethyl-1,4-benzoquinone, 2,3-Dimethyl-5-(hydroxymethyl)-p-benzoquinone acetate (ester), 2-acetoxymethyl-5,6-dimethyl-1,4-benzoquinone
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 40870-69-7 |
|---|---|
| SMILES | CC1=C(C(=O)C(=CC1=O)COC(=O)C)C |
| InChIKey | ZIJFBURUJALJSL-UHFFFAOYSA-N |
Product Overview
2,5-Cyclohexadiene-1,4-dione, 5-((acetyloxy)methyl)-2,3-dimethyl- (CAS 40870-69-7), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: (4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl acetate.
Chemical Property Profile of 2,5-Cyclohexadiene-1,4-dione, 5-((acetyloxy)methyl)-2,3-dimethyl-
Property Insights of 2,5-Cyclohexadiene-1,4-dione, 5-((acetyloxy)methyl)-2,3-dimethyl-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Cyclohexadiene-1,4-dione, 5-((acetyloxy)methyl)-2,3-dimethyl-. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Cyclohexadiene-1,4-dione, 5-((acetyloxy)methyl)-2,3-dimethyl-. Following Lipinski's Rule of Five, 2,5-Cyclohexadiene-1,4-dione, 5-((acetyloxy)methyl)-2,3-dimethyl- 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 2,5-Cyclohexadiene-1,4-dione, 5-((acetyloxy)methyl)-2,3-dimethyl-?
The CAS number of 2,5-Cyclohexadiene-1,4-dione, 5-((acetyloxy)methyl)-2,3-dimethyl- is 40870-69-7.
What is the molecular formula of 2,5-Cyclohexadiene-1,4-dione, 5-((acetyloxy)methyl)-2,3-dimethyl-?
The molecular formula of 2,5-Cyclohexadiene-1,4-dione, 5-((acetyloxy)methyl)-2,3-dimethyl- is C11H12O4.
What is the molecular weight of 2,5-Cyclohexadiene-1,4-dione, 5-((acetyloxy)methyl)-2,3-dimethyl-?
The molecular weight of 2,5-Cyclohexadiene-1,4-dione, 5-((acetyloxy)methyl)-2,3-dimethyl- is 208.07 g/mol.
Where can I buy 2,5-Cyclohexadiene-1,4-dione, 5-((acetyloxy)methyl)-2,3-dimethyl-?
You can request a quote for 2,5-Cyclohexadiene-1,4-dione, 5-((acetyloxy)methyl)-2,3-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-Cyclohexadiene-1,4-dione, 5-((acetyloxy)methyl)-2,3-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Cyclohexadiene-1,4-dione, 5-((acetyloxy)methyl)-2,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.