Ethyl 1-[(5-bromo-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate
TL;DR: Ethyl 1-[(5-bromo-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate (CAS 377064-94-3) is a chemical compound with molecular formula C17H19BrN2O4 and molecular weight 394.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[(5-bromo-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate
Also Known As: BAS 03264101, BIM-0010566.P001, ethyl 1-[(5-bromo-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate, ethyl 1-[(5-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]piperidine-4-carboxylate, ethyl 1-((5-bromo-2,3-dioxoindolin-1-yl)methyl)piperidine-4-carboxylate
| Molecular Formula | C17H19BrN2O4 |
|---|---|
| Molecular Weight | 394.05 g/mol |
| LogP | 2.211 |
| Topological Polar Surface Area | 66.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.05283 |
| Heavy Atoms | 24 |
| Complexity | 683.16815 |
Chemical Identifiers
| CAS Number | 377064-94-3 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)CN2C3=C(C=C(C=C3)Br)C(=O)C2=O |
Product Overview
Ethyl 1-[(5-bromo-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate (CAS 377064-94-3), with molecular formula C17H19BrN2O4 and molecular weight 394.05 g/mol. IUPAC: ethyl 1-[(5-bromo-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate.
Chemical Property Profile of Ethyl 1-[(5-bromo-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate
Property Insights of Ethyl 1-[(5-bromo-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate
The XLogP value of 2.211 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-[(5-bromo-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate. The TPSA of 66.92 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-[(5-bromo-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-[(5-bromo-2,3-dioxoindol-1-yl)methyl]piperidine-4-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 Ethyl 1-[(5-bromo-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate?
The CAS number of Ethyl 1-[(5-bromo-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate is 377064-94-3.
What is the molecular formula of Ethyl 1-[(5-bromo-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate?
The molecular formula of Ethyl 1-[(5-bromo-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate is C17H19BrN2O4.
What is the molecular weight of Ethyl 1-[(5-bromo-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate?
The molecular weight of Ethyl 1-[(5-bromo-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate is 394.05 g/mol.
Where can I buy Ethyl 1-[(5-bromo-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate?
You can request a quote for Ethyl 1-[(5-bromo-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-[(5-bromo-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-[(5-bromo-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.