Methyl 3-butyryl-6,6-dimethyl-2-oxo-4-(piperidin-1-yl)cyclohex-3-enecarboxylate
TL;DR: Methyl 3-butyryl-6,6-dimethyl-2-oxo-4-(piperidin-1-yl)cyclohex-3-enecarboxylate (CAS 123299-40-1) is a chemical compound with molecular formula C19H29NO4 and molecular weight 335.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-butanoyl-6,6-dimethyl-2-oxo-4-piperidin-1-ylcyclohex-3-ene-1-carboxylate
Also Known As: BAS 00700895, methyl 3-butyryl-6,6-dimethyl-2-oxo-4-(piperidin-1-yl)cyclohex-3-enecarboxylate, methyl 3-butanoyl-6,6-dimethyl-2-oxo-4-(piperidin-1-yl)cyclohex-3-ene-1-carboxylate, methyl 3-butanoyl-6,6-dimethyl-2-oxo-4-piperidin-1-ylcyclohex-3-ene-1-carboxylate
| Molecular Formula | C19H29NO4 |
|---|---|
| Molecular Weight | 335.21 g/mol |
| LogP | 2.8838 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.20966 |
| Heavy Atoms | 24 |
| Complexity | 555.7141 |
Chemical Identifiers
| CAS Number | 123299-40-1 |
|---|---|
| SMILES | CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)N2CCCCC2 |
Product Overview
Methyl 3-butyryl-6,6-dimethyl-2-oxo-4-(piperidin-1-yl)cyclohex-3-enecarboxylate (CAS 123299-40-1), with molecular formula C19H29NO4 and molecular weight 335.21 g/mol. IUPAC: methyl 3-butanoyl-6,6-dimethyl-2-oxo-4-piperidin-1-ylcyclohex-3-ene-1-carboxylate.
Chemical Property Profile of Methyl 3-butyryl-6,6-dimethyl-2-oxo-4-(piperidin-1-yl)cyclohex-3-enecarboxylate
Property Insights of Methyl 3-butyryl-6,6-dimethyl-2-oxo-4-(piperidin-1-yl)cyclohex-3-enecarboxylate
The XLogP value of 2.8838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-butyryl-6,6-dimethyl-2-oxo-4-(piperidin-1-yl)cyclohex-3-enecarboxylate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-butyryl-6,6-dimethyl-2-oxo-4-(piperidin-1-yl)cyclohex-3-enecarboxylate. Following Lipinski's Rule of Five, Methyl 3-butyryl-6,6-dimethyl-2-oxo-4-(piperidin-1-yl)cyclohex-3-enecarboxylate 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
Frequently Asked Questions
What is the CAS number of Methyl 3-butyryl-6,6-dimethyl-2-oxo-4-(piperidin-1-yl)cyclohex-3-enecarboxylate?
The CAS number of Methyl 3-butyryl-6,6-dimethyl-2-oxo-4-(piperidin-1-yl)cyclohex-3-enecarboxylate is 123299-40-1.
What is the molecular formula of Methyl 3-butyryl-6,6-dimethyl-2-oxo-4-(piperidin-1-yl)cyclohex-3-enecarboxylate?
The molecular formula of Methyl 3-butyryl-6,6-dimethyl-2-oxo-4-(piperidin-1-yl)cyclohex-3-enecarboxylate is C19H29NO4.
What is the molecular weight of Methyl 3-butyryl-6,6-dimethyl-2-oxo-4-(piperidin-1-yl)cyclohex-3-enecarboxylate?
The molecular weight of Methyl 3-butyryl-6,6-dimethyl-2-oxo-4-(piperidin-1-yl)cyclohex-3-enecarboxylate is 335.21 g/mol.
Where can I buy Methyl 3-butyryl-6,6-dimethyl-2-oxo-4-(piperidin-1-yl)cyclohex-3-enecarboxylate?
You can request a quote for Methyl 3-butyryl-6,6-dimethyl-2-oxo-4-(piperidin-1-yl)cyclohex-3-enecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-butyryl-6,6-dimethyl-2-oxo-4-(piperidin-1-yl)cyclohex-3-enecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-butyryl-6,6-dimethyl-2-oxo-4-(piperidin-1-yl)cyclohex-3-enecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.