Dimethyl 2-(4,4-dimethyl-6-oxo-2-pyrrolidin-1-ylcyclohexen-1-yl)but-2-enedioate
TL;DR: Dimethyl 2-(4,4-dimethyl-6-oxo-2-pyrrolidin-1-ylcyclohexen-1-yl)but-2-enedioate (CAS 81239-29-4) is a chemical compound with molecular formula C18H25NO5 and molecular weight 335.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(4,4-dimethyl-6-oxo-2-pyrrolidin-1-ylcyclohexen-1-yl)but-2-enedioate
Also Known As: dimethyl (Z)-2-(4,4-dimethyl-6-oxo-2-pyrrolidin-1-ylcyclohex, dimethyl 2-(4,4-dimethyl-6-oxo-2-pyrrolidin-1-ylcyclohexen-1-yl)but-2-enedioate
| Molecular Formula | C18H25NO5 |
|---|---|
| Molecular Weight | 335.17 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.17328 |
| Heavy Atoms | 24 |
| Complexity | 609.0 |
Chemical Identifiers
| CAS Number | 81239-29-4 |
|---|---|
| SMILES | CC1(CC(=C(C(=O)C1)C(=CC(=O)OC)C(=O)OC)N2CCCC2)C |
| InChIKey | QEVMPNQWHLLUCC-UHFFFAOYSA-N |
Product Overview
Dimethyl 2-(4,4-dimethyl-6-oxo-2-pyrrolidin-1-ylcyclohexen-1-yl)but-2-enedioate (CAS 81239-29-4), with molecular formula C18H25NO5 and molecular weight 335.17 g/mol. IUPAC: dimethyl 2-(4,4-dimethyl-6-oxo-2-pyrrolidin-1-ylcyclohexen-1-yl)but-2-enedioate.
Chemical Property Profile of Dimethyl 2-(4,4-dimethyl-6-oxo-2-pyrrolidin-1-ylcyclohexen-1-yl)but-2-enedioate
Property Insights of Dimethyl 2-(4,4-dimethyl-6-oxo-2-pyrrolidin-1-ylcyclohexen-1-yl)but-2-enedioate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-(4,4-dimethyl-6-oxo-2-pyrrolidin-1-ylcyclohexen-1-yl)but-2-enedioate. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-(4,4-dimethyl-6-oxo-2-pyrrolidin-1-ylcyclohexen-1-yl)but-2-enedioate. Following Lipinski's Rule of Five, Dimethyl 2-(4,4-dimethyl-6-oxo-2-pyrrolidin-1-ylcyclohexen-1-yl)but-2-enedioate 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 Dimethyl 2-(4,4-dimethyl-6-oxo-2-pyrrolidin-1-ylcyclohexen-1-yl)but-2-enedioate?
The CAS number of Dimethyl 2-(4,4-dimethyl-6-oxo-2-pyrrolidin-1-ylcyclohexen-1-yl)but-2-enedioate is 81239-29-4.
What is the molecular formula of Dimethyl 2-(4,4-dimethyl-6-oxo-2-pyrrolidin-1-ylcyclohexen-1-yl)but-2-enedioate?
The molecular formula of Dimethyl 2-(4,4-dimethyl-6-oxo-2-pyrrolidin-1-ylcyclohexen-1-yl)but-2-enedioate is C18H25NO5.
What is the molecular weight of Dimethyl 2-(4,4-dimethyl-6-oxo-2-pyrrolidin-1-ylcyclohexen-1-yl)but-2-enedioate?
The molecular weight of Dimethyl 2-(4,4-dimethyl-6-oxo-2-pyrrolidin-1-ylcyclohexen-1-yl)but-2-enedioate is 335.17 g/mol.
Where can I buy Dimethyl 2-(4,4-dimethyl-6-oxo-2-pyrrolidin-1-ylcyclohexen-1-yl)but-2-enedioate?
You can request a quote for Dimethyl 2-(4,4-dimethyl-6-oxo-2-pyrrolidin-1-ylcyclohexen-1-yl)but-2-enedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-(4,4-dimethyl-6-oxo-2-pyrrolidin-1-ylcyclohexen-1-yl)but-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-(4,4-dimethyl-6-oxo-2-pyrrolidin-1-ylcyclohexen-1-yl)but-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.