methyl 3-butanoyl-6,6-dimethyl-2-oxo-4-pyrrolidin-1-ylcyclohex-3-ene-1-carboxylate
TL;DR: methyl 3-butanoyl-6,6-dimethyl-2-oxo-4-pyrrolidin-1-ylcyclohex-3-ene-1-carboxylate (CAS 123299-38-7) is a chemical compound with molecular formula C18H27NO4 and molecular weight 321.19 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-pyrrolidin-1-ylcyclohex-3-ene-1-carboxylate
Also Known As: methyl 3-butanoyl-6,6-dimethyl-2-oxo-4-pyrrolidin-1-ylcyclohex-3-ene-1-carboxylate, methyl 3-butyryl-6,6-dimethyl-2-oxo-4-(pyrrolidin-1-yl)cyclohex-3-enecarboxylate, methyl 3-butanoyl-6,6-dimethyl-2-oxo-4-(pyrrolidin-1-yl)cyclohex-3-ene-1-carboxylate, 3-Butyryl-6,6-dimethyl-2-oxo-4-pyrrolidin-1-yl-cyclohex-3-enecarboxylic acid methyl ester, methyl 3-butanoyl-6,6-dimethyl-2-oxo-4-pyrrolidinylcyclohex-3-enecarboxylate
| Molecular Formula | C18H27NO4 |
|---|---|
| Molecular Weight | 321.19 g/mol |
| LogP | 2.4937 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.194 |
| Heavy Atoms | 23 |
| Complexity | 541.22485 |
Chemical Identifiers
| CAS Number | 123299-38-7 |
|---|---|
| SMILES | CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)N2CCCC2 |
Product Overview
methyl 3-butanoyl-6,6-dimethyl-2-oxo-4-pyrrolidin-1-ylcyclohex-3-ene-1-carboxylate (CAS 123299-38-7), with molecular formula C18H27NO4 and molecular weight 321.19 g/mol. IUPAC: methyl 3-butanoyl-6,6-dimethyl-2-oxo-4-pyrrolidin-1-ylcyclohex-3-ene-1-carboxylate.
Chemical Property Profile of methyl 3-butanoyl-6,6-dimethyl-2-oxo-4-pyrrolidin-1-ylcyclohex-3-ene-1-carboxylate
Property Insights of methyl 3-butanoyl-6,6-dimethyl-2-oxo-4-pyrrolidin-1-ylcyclohex-3-ene-1-carboxylate
The XLogP value of 2.4937 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-butanoyl-6,6-dimethyl-2-oxo-4-pyrrolidin-1-ylcyclohex-3-ene-1-carboxylate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-butanoyl-6,6-dimethyl-2-oxo-4-pyrrolidin-1-ylcyclohex-3-ene-1-carboxylate. Following Lipinski's Rule of Five, methyl 3-butanoyl-6,6-dimethyl-2-oxo-4-pyrrolidin-1-ylcyclohex-3-ene-1-carboxylate 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-butanoyl-6,6-dimethyl-2-oxo-4-pyrrolidin-1-ylcyclohex-3-ene-1-carboxylate?
The CAS number of methyl 3-butanoyl-6,6-dimethyl-2-oxo-4-pyrrolidin-1-ylcyclohex-3-ene-1-carboxylate is 123299-38-7.
What is the molecular formula of methyl 3-butanoyl-6,6-dimethyl-2-oxo-4-pyrrolidin-1-ylcyclohex-3-ene-1-carboxylate?
The molecular formula of methyl 3-butanoyl-6,6-dimethyl-2-oxo-4-pyrrolidin-1-ylcyclohex-3-ene-1-carboxylate is C18H27NO4.
What is the molecular weight of methyl 3-butanoyl-6,6-dimethyl-2-oxo-4-pyrrolidin-1-ylcyclohex-3-ene-1-carboxylate?
The molecular weight of methyl 3-butanoyl-6,6-dimethyl-2-oxo-4-pyrrolidin-1-ylcyclohex-3-ene-1-carboxylate is 321.19 g/mol.
Where can I buy methyl 3-butanoyl-6,6-dimethyl-2-oxo-4-pyrrolidin-1-ylcyclohex-3-ene-1-carboxylate?
You can request a quote for methyl 3-butanoyl-6,6-dimethyl-2-oxo-4-pyrrolidin-1-ylcyclohex-3-ene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-butanoyl-6,6-dimethyl-2-oxo-4-pyrrolidin-1-ylcyclohex-3-ene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-butanoyl-6,6-dimethyl-2-oxo-4-pyrrolidin-1-ylcyclohex-3-ene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.