Methyl 2-(4-(bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl)phenoxy)acetate
TL;DR: Methyl 2-(4-(bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl)phenoxy)acetate (CAS 331665-59-9) is a chemical compound with molecular formula C26H32O7 and molecular weight 456.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]phenoxy]acetate
Also Known As: methyl {4-[bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]phenoxy}acetate, methyl 2-(4-(bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl)phenoxy)acetate, Methyl 2-[4-[bis(4,4-dimethyl-2,6-dioxo-cyclohexyl)methyl]phenoxy]acetate, methyl 2-[4-[bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]phenoxy]acetate, methyl 2-{4-[bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]phenoxy}acetate
| Molecular Formula | C26H32O7 |
|---|---|
| Molecular Weight | 456.21 g/mol |
| LogP | 3.4708 |
| Topological Polar Surface Area | 103.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.2148 |
| Heavy Atoms | 33 |
| Complexity | 882.8595 |
Chemical Identifiers
| CAS Number | 331665-59-9 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)C(C2C(=O)CC(CC2=O)(C)C)C3=CC=C(C=C3)OCC(=O)OC)C |
Product Overview
Methyl 2-(4-(bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl)phenoxy)acetate (CAS 331665-59-9), with molecular formula C26H32O7 and molecular weight 456.21 g/mol. IUPAC: methyl 2-[4-[bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]phenoxy]acetate.
Chemical Property Profile of Methyl 2-(4-(bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl)phenoxy)acetate
Property Insights of Methyl 2-(4-(bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl)phenoxy)acetate
The XLogP value of 3.4708 indicates that Methyl 2-(4-(bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl)phenoxy)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 Methyl 2-(4-(bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl)phenoxy)acetate. Following Lipinski's Rule of Five, Methyl 2-(4-(bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl)phenoxy)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 Methyl 2-(4-(bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl)phenoxy)acetate?
The CAS number of Methyl 2-(4-(bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl)phenoxy)acetate is 331665-59-9.
What is the molecular formula of Methyl 2-(4-(bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl)phenoxy)acetate?
The molecular formula of Methyl 2-(4-(bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl)phenoxy)acetate is C26H32O7.
What is the molecular weight of Methyl 2-(4-(bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl)phenoxy)acetate?
The molecular weight of Methyl 2-(4-(bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl)phenoxy)acetate is 456.21 g/mol.
Where can I buy Methyl 2-(4-(bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl)phenoxy)acetate?
You can request a quote for Methyl 2-(4-(bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl)phenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(4-(bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl)phenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(4-(bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl)phenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.