(2,2,5-Trimethyl-4-oxo-1-piperidyl)maleic acid diethyl ester
TL;DR: (2,2,5-Trimethyl-4-oxo-1-piperidyl)maleic acid diethyl ester (CAS 110998-14-6) is a chemical compound with molecular formula C16H25NO5 and molecular weight 311.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl (Z)-2-(2,2,5-trimethyl-4-oxopiperidin-1-yl)but-2-enedioate
Also Known As: (2,2,5-Trimethyl-4-oxo-1-piperidyl)maleic acid diethyl ester, 2-Butenedioic acid, 2-(2,2,5-trimethyl-4-oxo-1-piperidinyl)-, diethyl ester, (E)-, (E)-2-(2,2,5-Trimethyl-4-oxo-1-piperidinyl)-2-butenedioic acid diethyl ester, diethyl (Z)-2-(2,2,5-trimethyl-4-oxopiperidin-1-yl)but-2-enedioate, RefChem:1062616
| Molecular Formula | C16H25NO5 |
|---|---|
| Molecular Weight | 311.17 g/mol |
| LogP | 1.686 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.17328 |
| Heavy Atoms | 22 |
| Complexity | 480.92783 |
Chemical Identifiers
| CAS Number | 110998-14-6 |
|---|---|
| SMILES | CCOC(=O)/C=C(/C(=O)OCC)\N1CC(C(=O)CC1(C)C)C |
Product Overview
(2,2,5-Trimethyl-4-oxo-1-piperidyl)maleic acid diethyl ester (CAS 110998-14-6), with molecular formula C16H25NO5 and molecular weight 311.17 g/mol. IUPAC: diethyl (Z)-2-(2,2,5-trimethyl-4-oxopiperidin-1-yl)but-2-enedioate.
Chemical Property Profile of (2,2,5-Trimethyl-4-oxo-1-piperidyl)maleic acid diethyl ester
Property Insights of (2,2,5-Trimethyl-4-oxo-1-piperidyl)maleic acid diethyl ester
The XLogP value of 1.686 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,2,5-Trimethyl-4-oxo-1-piperidyl)maleic acid diethyl ester. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,2,5-Trimethyl-4-oxo-1-piperidyl)maleic acid diethyl ester. Following Lipinski's Rule of Five, (2,2,5-Trimethyl-4-oxo-1-piperidyl)maleic acid diethyl ester 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 (2,2,5-Trimethyl-4-oxo-1-piperidyl)maleic acid diethyl ester?
The CAS number of (2,2,5-Trimethyl-4-oxo-1-piperidyl)maleic acid diethyl ester is 110998-14-6.
What is the molecular formula of (2,2,5-Trimethyl-4-oxo-1-piperidyl)maleic acid diethyl ester?
The molecular formula of (2,2,5-Trimethyl-4-oxo-1-piperidyl)maleic acid diethyl ester is C16H25NO5.
What is the molecular weight of (2,2,5-Trimethyl-4-oxo-1-piperidyl)maleic acid diethyl ester?
The molecular weight of (2,2,5-Trimethyl-4-oxo-1-piperidyl)maleic acid diethyl ester is 311.17 g/mol.
Where can I buy (2,2,5-Trimethyl-4-oxo-1-piperidyl)maleic acid diethyl ester?
You can request a quote for (2,2,5-Trimethyl-4-oxo-1-piperidyl)maleic acid diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,2,5-Trimethyl-4-oxo-1-piperidyl)maleic acid diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for (2,2,5-Trimethyl-4-oxo-1-piperidyl)maleic acid diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.