Methyl 6,6-dimethyl-2,4-dioxo-3-(pyrrolidinylbutylidene)cyclohexanecarboxylate
TL;DR: Methyl 6,6-dimethyl-2,4-dioxo-3-(pyrrolidinylbutylidene)cyclohexanecarboxylate (CAS 1164505-72-9) is a chemical compound with molecular formula C18H27NO4 and molecular weight 321.194 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (5E)-2,2-dimethyl-4,6-dioxo-5-(1-pyrrolidin-1-ylbutylidene)cyclohexane-1-carboxylate
Also Known As: BAS 00701298, AB00075708-01, (E)-methyl 2,2-dimethyl-4,6-dioxo-5-(1-(pyrrolidin-1-yl)butylidene)cyclohexanecarboxylate, methyl 2,2-dimethyl-4,6-dioxo-5-[1-(1-pyrrolidinyl)butylidene]cyclohexanecarboxylate, methyl (5E)-2,2-dimethyl-4,6-dioxo-5-[1-(pyrrolidin-1-yl)butylidene]cyclohexanecarboxylate
Technical Specifications
| Molecular Formula | C18H27NO4 |
| Molecular Weight | 321.194 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.194 Da |
| Heavy Atoms | 23 |
| Complexity | 541.0 |
| SMILES | CCC/C(=C\1/C(=O)CC(C(C1=O)C(=O)OC)(C)C)/N2CCCC2 |
| InChIKey | LBSAEAGBGMLRHJ-WYMLVPIESA-N |
Chemical Property Profile of Methyl 6,6-dimethyl-2,4-dioxo-3-(pyrrolidinylbutylidene)cyclohexanecarboxylate
Property Insights of Methyl 6,6-dimethyl-2,4-dioxo-3-(pyrrolidinylbutylidene)cyclohexanecarboxylate
The XLogP value of 3.0 indicates that Methyl 6,6-dimethyl-2,4-dioxo-3-(pyrrolidinylbutylidene)cyclohexanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 6,6-dimethyl-2,4-dioxo-3-(pyrrolidinylbutylidene)cyclohexanecarboxylate. Following Lipinski's Rule of Five, Methyl 6,6-dimethyl-2,4-dioxo-3-(pyrrolidinylbutylidene)cyclohexanecarboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 6,6-dimethyl-2,4-dioxo-3-(pyrrolidinylbutylidene)cyclohexanecarboxylate?
The CAS number of Methyl 6,6-dimethyl-2,4-dioxo-3-(pyrrolidinylbutylidene)cyclohexanecarboxylate is 1164505-72-9.
What is the molecular formula of Methyl 6,6-dimethyl-2,4-dioxo-3-(pyrrolidinylbutylidene)cyclohexanecarboxylate?
The molecular formula of Methyl 6,6-dimethyl-2,4-dioxo-3-(pyrrolidinylbutylidene)cyclohexanecarboxylate is C18H27NO4.
What is the molecular weight of Methyl 6,6-dimethyl-2,4-dioxo-3-(pyrrolidinylbutylidene)cyclohexanecarboxylate?
The molecular weight of Methyl 6,6-dimethyl-2,4-dioxo-3-(pyrrolidinylbutylidene)cyclohexanecarboxylate is 321.194 g/mol.
Where can I buy Methyl 6,6-dimethyl-2,4-dioxo-3-(pyrrolidinylbutylidene)cyclohexanecarboxylate?
You can request a quote for Methyl 6,6-dimethyl-2,4-dioxo-3-(pyrrolidinylbutylidene)cyclohexanecarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 6,6-dimethyl-2,4-dioxo-3-(pyrrolidinylbutylidene)cyclohexanecarboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 6,6-dimethyl-2,4-dioxo-3-(pyrrolidinylbutylidene)cyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.