![Ethyl 4-[(2,5-dioxo-1-pyrrolidinyl)amino]-3-nitrobenzoate structure](/static/products/335/335390-56-2.png)
Ethyl 4-[(2,5-dioxo-1-pyrrolidinyl)amino]-3-nitrobenzoate
TL;DR: Ethyl 4-[(2,5-dioxo-1-pyrrolidinyl)amino]-3-nitrobenzoate (CAS 335390-56-2) is a chemical compound with molecular formula C13H13N3O6 and molecular weight 307.08 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)amino]-3-nitrobenzoate
Also Known As: BAS 02799597, ethyl 4-[(2,5-dioxo-1-pyrrolidinyl)amino]-3-nitrobenzoate, ethyl 4-[(2,5-dioxopyrrolidin-1-yl)amino]-3-nitrobenzoate, 4-(2,5-Dioxo-pyrrolidin-1-ylamino)-3-nitro-benzoic acid ethyl ester
| Molecular Formula | C13H13N3O6 |
|---|---|
| Molecular Weight | 307.08 g/mol |
| LogP | 1.2474 |
| Topological Polar Surface Area | 118.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.08044 |
| Heavy Atoms | 22 |
| Complexity | 641.17554 |
Chemical Identifiers
| CAS Number | 335390-56-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C=C1)NN2C(=O)CCC2=O)[N+](=O)[O-] |
Product Overview
Ethyl 4-[(2,5-dioxo-1-pyrrolidinyl)amino]-3-nitrobenzoate (CAS 335390-56-2), with molecular formula C13H13N3O6 and molecular weight 307.08 g/mol. IUPAC: ethyl 4-[(2,5-dioxopyrrolidin-1-yl)amino]-3-nitrobenzoate.
Chemical Property Profile of Ethyl 4-[(2,5-dioxo-1-pyrrolidinyl)amino]-3-nitrobenzoate
Property Insights of Ethyl 4-[(2,5-dioxo-1-pyrrolidinyl)amino]-3-nitrobenzoate
The XLogP value of 1.2474 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[(2,5-dioxo-1-pyrrolidinyl)amino]-3-nitrobenzoate. The TPSA of 118.85 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(2,5-dioxo-1-pyrrolidinyl)amino]-3-nitrobenzoate. Following Lipinski's Rule of Five, Ethyl 4-[(2,5-dioxo-1-pyrrolidinyl)amino]-3-nitrobenzoate has 1 hydrogen bond donor(s) and 7 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-1-pyrrolidinyl)amino]-3-nitrobenzoate?
The CAS number of Ethyl 4-[(2,5-dioxo-1-pyrrolidinyl)amino]-3-nitrobenzoate is 335390-56-2.
What is the molecular formula of Ethyl 4-[(2,5-dioxo-1-pyrrolidinyl)amino]-3-nitrobenzoate?
The molecular formula of Ethyl 4-[(2,5-dioxo-1-pyrrolidinyl)amino]-3-nitrobenzoate is C13H13N3O6.
What is the molecular weight of Ethyl 4-[(2,5-dioxo-1-pyrrolidinyl)amino]-3-nitrobenzoate?
The molecular weight of Ethyl 4-[(2,5-dioxo-1-pyrrolidinyl)amino]-3-nitrobenzoate is 307.08 g/mol.
Where can I buy Ethyl 4-[(2,5-dioxo-1-pyrrolidinyl)amino]-3-nitrobenzoate?
You can request a quote for Ethyl 4-[(2,5-dioxo-1-pyrrolidinyl)amino]-3-nitrobenzoate 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-1-pyrrolidinyl)amino]-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(2,5-dioxo-1-pyrrolidinyl)amino]-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.