5-(Bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl)-2-methoxybenzyl acetate
TL;DR: 5-(Bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl)-2-methoxybenzyl acetate (CAS 304873-01-6) is a chemical compound with molecular formula C27H34O7 and molecular weight 470.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]-2-methoxyphenyl]methyl acetate
Also Known As: 5-(bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl)-2-methoxybenzyl acetate, 5-[bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]-2-methoxybenzyl acetate, [5-[bis(4,4-dimethyl-2,6-dioxo-cyclohexyl)methyl]-2-methoxy-phenyl]methyl Acetate, [5-[bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]-2-methoxyphenyl]methyl acetate
| Molecular Formula | C27H34O7 |
|---|---|
| Molecular Weight | 470.23 g/mol |
| LogP | 3.9907 |
| Topological Polar Surface Area | 103.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 470.23044 |
| Heavy Atoms | 34 |
| Complexity | 945.41425 |
Chemical Identifiers
| CAS Number | 304873-01-6 |
|---|---|
| SMILES | CC(=O)OCC1=C(C=CC(=C1)C(C2C(=O)CC(CC2=O)(C)C)C3C(=O)CC(CC3=O)(C)C)OC |
Product Overview
5-(Bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl)-2-methoxybenzyl acetate (CAS 304873-01-6), with molecular formula C27H34O7 and molecular weight 470.23 g/mol. IUPAC: [5-[bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]-2-methoxyphenyl]methyl acetate.
Chemical Property Profile of 5-(Bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl)-2-methoxybenzyl acetate
Property Insights of 5-(Bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl)-2-methoxybenzyl acetate
The XLogP value of 3.9907 indicates that 5-(Bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl)-2-methoxybenzyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl)-2-methoxybenzyl acetate. Following Lipinski's Rule of Five, 5-(Bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl)-2-methoxybenzyl acetate has 0 hydrogen bond donor(s) and 7 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 5-(Bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl)-2-methoxybenzyl acetate?
The CAS number of 5-(Bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl)-2-methoxybenzyl acetate is 304873-01-6.
What is the molecular formula of 5-(Bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl)-2-methoxybenzyl acetate?
The molecular formula of 5-(Bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl)-2-methoxybenzyl acetate is C27H34O7.
What is the molecular weight of 5-(Bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl)-2-methoxybenzyl acetate?
The molecular weight of 5-(Bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl)-2-methoxybenzyl acetate is 470.23 g/mol.
Where can I buy 5-(Bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl)-2-methoxybenzyl acetate?
You can request a quote for 5-(Bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl)-2-methoxybenzyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl)-2-methoxybenzyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 5-(Bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl)-2-methoxybenzyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.