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Ethyl 4-[3-(tert-butylamino)-2,5-dioxopyrrolidin-1-yl]benzoate
TL;DR: Ethyl 4-[3-(tert-butylamino)-2,5-dioxopyrrolidin-1-yl]benzoate (CAS 1008969-08-1) is a chemical compound with molecular formula C17H22N2O4 and molecular weight 318.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-(tert-butylamino)-2,5-dioxopyrrolidin-1-yl]benzoate
Also Known As: BAS 03020749, ethyl 4-[3-(tert-butylamino)-2,5-dioxopyrrolidin-1-yl]benzoate, ethyl 4-(3-(tert-butylamino)-2,5-dioxopyrrolidin-1-yl)benzoate, ethyl 4-[3-(tert-butylamino)-2,5-dioxo-1-pyrrolidinyl]benzoate, 4-(3-tert-Butylamino-2,5-dioxo-pyrrolidin-1-yl)-benzoic acid ethyl ester
| Molecular Formula | C17H22N2O4 |
|---|---|
| Molecular Weight | 318.16 g/mol |
| LogP | 1.8833 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.15796 |
| Heavy Atoms | 23 |
| Complexity | 616.4757 |
Chemical Identifiers
| CAS Number | 1008969-08-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)NC(C)(C)C |
Product Overview
Ethyl 4-[3-(tert-butylamino)-2,5-dioxopyrrolidin-1-yl]benzoate (CAS 1008969-08-1), with molecular formula C17H22N2O4 and molecular weight 318.16 g/mol. IUPAC: ethyl 4-[3-(tert-butylamino)-2,5-dioxopyrrolidin-1-yl]benzoate.
Chemical Property Profile of Ethyl 4-[3-(tert-butylamino)-2,5-dioxopyrrolidin-1-yl]benzoate
Property Insights of Ethyl 4-[3-(tert-butylamino)-2,5-dioxopyrrolidin-1-yl]benzoate
The XLogP value of 1.8833 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[3-(tert-butylamino)-2,5-dioxopyrrolidin-1-yl]benzoate. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[3-(tert-butylamino)-2,5-dioxopyrrolidin-1-yl]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[3-(tert-butylamino)-2,5-dioxopyrrolidin-1-yl]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-[3-(tert-butylamino)-2,5-dioxopyrrolidin-1-yl]benzoate?
The CAS number of Ethyl 4-[3-(tert-butylamino)-2,5-dioxopyrrolidin-1-yl]benzoate is 1008969-08-1.
What is the molecular formula of Ethyl 4-[3-(tert-butylamino)-2,5-dioxopyrrolidin-1-yl]benzoate?
The molecular formula of Ethyl 4-[3-(tert-butylamino)-2,5-dioxopyrrolidin-1-yl]benzoate is C17H22N2O4.
What is the molecular weight of Ethyl 4-[3-(tert-butylamino)-2,5-dioxopyrrolidin-1-yl]benzoate?
The molecular weight of Ethyl 4-[3-(tert-butylamino)-2,5-dioxopyrrolidin-1-yl]benzoate is 318.16 g/mol.
Where can I buy Ethyl 4-[3-(tert-butylamino)-2,5-dioxopyrrolidin-1-yl]benzoate?
You can request a quote for Ethyl 4-[3-(tert-butylamino)-2,5-dioxopyrrolidin-1-yl]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-[3-(tert-butylamino)-2,5-dioxopyrrolidin-1-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[3-(tert-butylamino)-2,5-dioxopyrrolidin-1-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.