Methyl 4-Allyl-3,5-Dioxo-1-Cyclohexanecarboxylate
TL;DR: Methyl 4-Allyl-3,5-Dioxo-1-Cyclohexanecarboxylate (CAS 52935-96-3) is a chemical compound with molecular formula C11H14O4 and molecular weight 210.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,5-dioxo-4-prop-2-enylcyclohexane-1-carboxylate
Also Known As: Methyl 4-Allyl-3,5-Dioxo-1-Cyclohexanecarboxylate, methyl 3,5-dioxo-4-prop-2-enylcyclohexane-1-carboxylate, methyl 4-allyl-3,5-dioxocyclohexanecarboxylate, methyl 4-allyl-3,5-dioxo-cyclohexanecarboxylate, METHYL4-ALLYL-35-DIOXO-1-CYCLOHEXANE-&
| Molecular Formula | C11H14O4 |
|---|---|
| Molecular Weight | 210.09 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.0892 |
| Heavy Atoms | 15 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 52935-96-3 |
|---|---|
| SMILES | COC(=O)C1CC(=O)C(C(=O)C1)CC=C |
| InChIKey | AJRVHWIHRHVDBE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-Allyl-3,5-Dioxo-1-Cyclohexanecarboxylate (CAS 52935-96-3), with molecular formula C11H14O4 and molecular weight 210.09 g/mol. IUPAC: methyl 3,5-dioxo-4-prop-2-enylcyclohexane-1-carboxylate.
Chemical Property Profile of Methyl 4-Allyl-3,5-Dioxo-1-Cyclohexanecarboxylate
Property Insights of Methyl 4-Allyl-3,5-Dioxo-1-Cyclohexanecarboxylate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-Allyl-3,5-Dioxo-1-Cyclohexanecarboxylate. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-Allyl-3,5-Dioxo-1-Cyclohexanecarboxylate. Following Lipinski's Rule of Five, Methyl 4-Allyl-3,5-Dioxo-1-Cyclohexanecarboxylate 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 Methyl 4-Allyl-3,5-Dioxo-1-Cyclohexanecarboxylate?
The CAS number of Methyl 4-Allyl-3,5-Dioxo-1-Cyclohexanecarboxylate is 52935-96-3.
What is the molecular formula of Methyl 4-Allyl-3,5-Dioxo-1-Cyclohexanecarboxylate?
The molecular formula of Methyl 4-Allyl-3,5-Dioxo-1-Cyclohexanecarboxylate is C11H14O4.
What is the molecular weight of Methyl 4-Allyl-3,5-Dioxo-1-Cyclohexanecarboxylate?
The molecular weight of Methyl 4-Allyl-3,5-Dioxo-1-Cyclohexanecarboxylate is 210.09 g/mol.
Where can I buy Methyl 4-Allyl-3,5-Dioxo-1-Cyclohexanecarboxylate?
You can request a quote for Methyl 4-Allyl-3,5-Dioxo-1-Cyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-Allyl-3,5-Dioxo-1-Cyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-Allyl-3,5-Dioxo-1-Cyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.