![Ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methylamino]benzoate structure](/static/products/1764/17647-08-4.webp)
Ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methylamino]benzoate
TL;DR: Ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methylamino]benzoate (CAS 17647-08-4) is a chemical compound with molecular formula C14H16N2O4 and molecular weight 276.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methylamino]benzoate
Also Known As: ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methylamino]benzoate, ETHYL 4-{[(2,5-DIOXOPYRROLIDIN-1-YL)METHYL]AMINO}BENZOATE
| Molecular Formula | C14H16N2O4 |
|---|---|
| Molecular Weight | 276.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 75.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 276.111 |
| Heavy Atoms | 20 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 17647-08-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NCN2C(=O)CCC2=O |
| InChIKey | YRUGLUHHBABQJX-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methylamino]benzoate (CAS 17647-08-4), with molecular formula C14H16N2O4 and molecular weight 276.11 g/mol. IUPAC: ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methylamino]benzoate.
Chemical Property Profile of Ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methylamino]benzoate
Property Insights of Ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methylamino]benzoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methylamino]benzoate. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methylamino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methylamino]benzoate has 1 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 4-[(2,5-dioxopyrrolidin-1-yl)methylamino]benzoate?
The CAS number of Ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methylamino]benzoate is 17647-08-4.
What is the molecular formula of Ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methylamino]benzoate?
The molecular formula of Ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methylamino]benzoate is C14H16N2O4.
What is the molecular weight of Ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methylamino]benzoate?
The molecular weight of Ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methylamino]benzoate is 276.11 g/mol.
Where can I buy Ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methylamino]benzoate?
You can request a quote for Ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methylamino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.