Methyl 2,3-dioxopiperidine-4-carboxylate
TL;DR: Methyl 2,3-dioxopiperidine-4-carboxylate (CAS 59954-65-3) is a chemical compound with molecular formula C7H9NO4 and molecular weight 171.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,3-dioxopiperidine-4-carboxylate
Also Known As: Methyl 2,3-dioxopiperidine-4-carboxylate, Methyl 2,3-dioxoisonipecotate, Methyl-2,3-dioxoisonipecotat, 4-Piperidinecarboxylic acid, 2,3-dioxo-, methyl ester
| Molecular Formula | C7H9NO4 |
|---|---|
| Molecular Weight | 171.05 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 171.05316 |
| Heavy Atoms | 12 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 59954-65-3 |
|---|---|
| SMILES | COC(=O)C1CCNC(=O)C1=O |
| InChIKey | BMVFAPLLIDCKOJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2,3-dioxopiperidine-4-carboxylate (CAS 59954-65-3), with molecular formula C7H9NO4 and molecular weight 171.05 g/mol. IUPAC: methyl 2,3-dioxopiperidine-4-carboxylate.
Chemical Property Profile of Methyl 2,3-dioxopiperidine-4-carboxylate
Property Insights of Methyl 2,3-dioxopiperidine-4-carboxylate
The XLogP value of -0.4 indicates that Methyl 2,3-dioxopiperidine-4-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2,3-dioxopiperidine-4-carboxylate. Following Lipinski's Rule of Five, Methyl 2,3-dioxopiperidine-4-carboxylate has 1 hydrogen bond donor(s) and 4 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 2,3-dioxopiperidine-4-carboxylate?
The CAS number of Methyl 2,3-dioxopiperidine-4-carboxylate is 59954-65-3.
What is the molecular formula of Methyl 2,3-dioxopiperidine-4-carboxylate?
The molecular formula of Methyl 2,3-dioxopiperidine-4-carboxylate is C7H9NO4.
What is the molecular weight of Methyl 2,3-dioxopiperidine-4-carboxylate?
The molecular weight of Methyl 2,3-dioxopiperidine-4-carboxylate is 171.05 g/mol.
Where can I buy Methyl 2,3-dioxopiperidine-4-carboxylate?
You can request a quote for Methyl 2,3-dioxopiperidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,3-dioxopiperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,3-dioxopiperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.