![Methyl 4-[bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]benzoate structure](/static/products/304/304873-16-3.png)
Methyl 4-[bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]benzoate
TL;DR: Methyl 4-[bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]benzoate (CAS 304873-16-3) is a chemical compound with molecular formula C25H30O6 and molecular weight 426.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]benzoate
Also Known As: BIM-0042841.P001, methyl 4-[bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]benzoate, methyl 4-(bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl)benzoate, 4-[Bis-(4,4-dimethyl-2,6-dioxo-cyclohexyl)-methyl]-benzoic acid methyl ester
| Molecular Formula | C25H30O6 |
|---|---|
| Molecular Weight | 426.20 g/mol |
| LogP | 3.7056 |
| Topological Polar Surface Area | 94.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.20422 |
| Heavy Atoms | 31 |
| Complexity | 849.26385 |
Chemical Identifiers
| CAS Number | 304873-16-3 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)C(C2C(=O)CC(CC2=O)(C)C)C3=CC=C(C=C3)C(=O)OC)C |
Product Overview
Methyl 4-[bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]benzoate (CAS 304873-16-3), with molecular formula C25H30O6 and molecular weight 426.20 g/mol. IUPAC: methyl 4-[bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]benzoate.
Chemical Property Profile of Methyl 4-[bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]benzoate
Property Insights of Methyl 4-[bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]benzoate
The XLogP value of 3.7056 indicates that Methyl 4-[bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.58 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]benzoate. Following Lipinski's Rule of Five, Methyl 4-[bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]benzoate 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 Methyl 4-[bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]benzoate?
The CAS number of Methyl 4-[bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]benzoate is 304873-16-3.
What is the molecular formula of Methyl 4-[bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]benzoate?
The molecular formula of Methyl 4-[bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]benzoate is C25H30O6.
What is the molecular weight of Methyl 4-[bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]benzoate?
The molecular weight of Methyl 4-[bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]benzoate is 426.20 g/mol.
Where can I buy Methyl 4-[bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]benzoate?
You can request a quote for Methyl 4-[bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[bis(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.