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Ethyl 4-{2,5-dioxo-3-[(2-phenylethyl)amino]pyrrolidin-1-yl}benzoate
TL;DR: Ethyl 4-{2,5-dioxo-3-[(2-phenylethyl)amino]pyrrolidin-1-yl}benzoate (CAS 355138-30-6) is a chemical compound with molecular formula C21H22N2O4 and molecular weight 366.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2,5-dioxo-3-(2-phenylethylamino)pyrrolidin-1-yl]benzoate
Also Known As: BAS 03020732, AB00101208-01, ethyl 4-{2,5-dioxo-3-[(2-phenylethyl)amino]pyrrolidin-1-yl}benzoate, ethyl 4-(2,5-dioxo-3-(phenethylamino)pyrrolidin-1-yl)benzoate, A2078/0087358
| Molecular Formula | C21H22N2O4 |
|---|---|
| Molecular Weight | 366.16 g/mol |
| LogP | 2.3275 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 366.15796 |
| Heavy Atoms | 27 |
| Complexity | 817.8351 |
Chemical Identifiers
| CAS Number | 355138-30-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)NCCC3=CC=CC=C3 |
Product Overview
Ethyl 4-{2,5-dioxo-3-[(2-phenylethyl)amino]pyrrolidin-1-yl}benzoate (CAS 355138-30-6), with molecular formula C21H22N2O4 and molecular weight 366.16 g/mol. IUPAC: ethyl 4-[2,5-dioxo-3-(2-phenylethylamino)pyrrolidin-1-yl]benzoate.
Chemical Property Profile of Ethyl 4-{2,5-dioxo-3-[(2-phenylethyl)amino]pyrrolidin-1-yl}benzoate
Property Insights of Ethyl 4-{2,5-dioxo-3-[(2-phenylethyl)amino]pyrrolidin-1-yl}benzoate
The XLogP value of 2.3275 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-{2,5-dioxo-3-[(2-phenylethyl)amino]pyrrolidin-1-yl}benzoate. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{2,5-dioxo-3-[(2-phenylethyl)amino]pyrrolidin-1-yl}benzoate. Following Lipinski's Rule of Five, Ethyl 4-{2,5-dioxo-3-[(2-phenylethyl)amino]pyrrolidin-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-{2,5-dioxo-3-[(2-phenylethyl)amino]pyrrolidin-1-yl}benzoate?
The CAS number of Ethyl 4-{2,5-dioxo-3-[(2-phenylethyl)amino]pyrrolidin-1-yl}benzoate is 355138-30-6.
What is the molecular formula of Ethyl 4-{2,5-dioxo-3-[(2-phenylethyl)amino]pyrrolidin-1-yl}benzoate?
The molecular formula of Ethyl 4-{2,5-dioxo-3-[(2-phenylethyl)amino]pyrrolidin-1-yl}benzoate is C21H22N2O4.
What is the molecular weight of Ethyl 4-{2,5-dioxo-3-[(2-phenylethyl)amino]pyrrolidin-1-yl}benzoate?
The molecular weight of Ethyl 4-{2,5-dioxo-3-[(2-phenylethyl)amino]pyrrolidin-1-yl}benzoate is 366.16 g/mol.
Where can I buy Ethyl 4-{2,5-dioxo-3-[(2-phenylethyl)amino]pyrrolidin-1-yl}benzoate?
You can request a quote for Ethyl 4-{2,5-dioxo-3-[(2-phenylethyl)amino]pyrrolidin-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-{2,5-dioxo-3-[(2-phenylethyl)amino]pyrrolidin-1-yl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{2,5-dioxo-3-[(2-phenylethyl)amino]pyrrolidin-1-yl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.