Methyl-1-(3,4-dichlorobenzyl)hexahydro-2,3-dioxo-4-pyridinecarboxylate
TL;DR: Methyl-1-(3,4-dichlorobenzyl)hexahydro-2,3-dioxo-4-pyridinecarboxylate (CAS 59954-66-4) is a chemical compound with molecular formula C14H13Cl2NO4 and molecular weight 329.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-[(3,4-dichlorophenyl)methyl]-2,3-dioxopiperidine-4-carboxylate
Also Known As: Sid 751053, Methyl-1-(3,4-dichlorobenzyl)hexahydro-2,3-dioxo-4-pyridinecarboxylate, methyl 1-[(3,4-dichlorophenyl)methyl]-2,3-dioxopiperidine-4-carboxylate, 4-Piperidinecarboxylic acid, 1-((3,4-dichlorophenyl)methyl)-2,3-dioxo-, methyl ester, Methyl-1-(3,4-dichlorobenzyl)hexahydro-2,3- dioxo-4-pyridinecarboxylate
| Molecular Formula | C14H13Cl2NO4 |
|---|---|
| Molecular Weight | 329.02 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.02216 |
| Heavy Atoms | 21 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 59954-66-4 |
|---|---|
| SMILES | COC(=O)C1CCN(C(=O)C1=O)CC2=CC(=C(C=C2)Cl)Cl |
| InChIKey | LFYFWGSYFMITIB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl-1-(3,4-dichlorobenzyl)hexahydro-2,3-dioxo-4-pyridinecarboxylate (CAS 59954-66-4), with molecular formula C14H13Cl2NO4 and molecular weight 329.02 g/mol. IUPAC: methyl 1-[(3,4-dichlorophenyl)methyl]-2,3-dioxopiperidine-4-carboxylate.
Chemical Property Profile of Methyl-1-(3,4-dichlorobenzyl)hexahydro-2,3-dioxo-4-pyridinecarboxylate
Property Insights of Methyl-1-(3,4-dichlorobenzyl)hexahydro-2,3-dioxo-4-pyridinecarboxylate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl-1-(3,4-dichlorobenzyl)hexahydro-2,3-dioxo-4-pyridinecarboxylate. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl-1-(3,4-dichlorobenzyl)hexahydro-2,3-dioxo-4-pyridinecarboxylate. Following Lipinski's Rule of Five, Methyl-1-(3,4-dichlorobenzyl)hexahydro-2,3-dioxo-4-pyridinecarboxylate has 0 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-1-(3,4-dichlorobenzyl)hexahydro-2,3-dioxo-4-pyridinecarboxylate?
The CAS number of Methyl-1-(3,4-dichlorobenzyl)hexahydro-2,3-dioxo-4-pyridinecarboxylate is 59954-66-4.
What is the molecular formula of Methyl-1-(3,4-dichlorobenzyl)hexahydro-2,3-dioxo-4-pyridinecarboxylate?
The molecular formula of Methyl-1-(3,4-dichlorobenzyl)hexahydro-2,3-dioxo-4-pyridinecarboxylate is C14H13Cl2NO4.
What is the molecular weight of Methyl-1-(3,4-dichlorobenzyl)hexahydro-2,3-dioxo-4-pyridinecarboxylate?
The molecular weight of Methyl-1-(3,4-dichlorobenzyl)hexahydro-2,3-dioxo-4-pyridinecarboxylate is 329.02 g/mol.
Where can I buy Methyl-1-(3,4-dichlorobenzyl)hexahydro-2,3-dioxo-4-pyridinecarboxylate?
You can request a quote for Methyl-1-(3,4-dichlorobenzyl)hexahydro-2,3-dioxo-4-pyridinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl-1-(3,4-dichlorobenzyl)hexahydro-2,3-dioxo-4-pyridinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl-1-(3,4-dichlorobenzyl)hexahydro-2,3-dioxo-4-pyridinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.