![Ethyl 4-[3-(1,3-benzodioxol-5-ylmethylamino)-2,5-dioxopyrrolidin-1-yl]benzoate structure](/static/products/3551/355138-28-2.webp)
Ethyl 4-[3-(1,3-benzodioxol-5-ylmethylamino)-2,5-dioxopyrrolidin-1-yl]benzoate
TL;DR: Ethyl 4-[3-(1,3-benzodioxol-5-ylmethylamino)-2,5-dioxopyrrolidin-1-yl]benzoate (CAS 355138-28-2) is a chemical compound with molecular formula C21H20N2O6 and molecular weight 396.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-(1,3-benzodioxol-5-ylmethylamino)-2,5-dioxopyrrolidin-1-yl]benzoate
Also Known As: BAS 01269154, AB00101199-01, ethyl 4-[3-(1,3-benzodioxol-5-ylmethylamino)-2,5-dioxopyrrolidin-1-yl]benzoate, ethyl 4-(3-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-2,5-dioxopyrrolidin-1-yl)benzoate, ETHYL 4-{3-[(1,3-BENZODIOXOL-5-YLMETHYL)AMINO]-2,5-DIOXO-1-PYRROLIDINYL}BENZOATE
| Molecular Formula | C21H20N2O6 |
|---|---|
| Molecular Weight | 396.13 g/mol |
| LogP | 2.0137 |
| Topological Polar Surface Area | 94.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.13214 |
| Heavy Atoms | 29 |
| Complexity | 956.14374 |
Chemical Identifiers
| CAS Number | 355138-28-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)NCC3=CC4=C(C=C3)OCO4 |
Product Overview
Ethyl 4-[3-(1,3-benzodioxol-5-ylmethylamino)-2,5-dioxopyrrolidin-1-yl]benzoate (CAS 355138-28-2), with molecular formula C21H20N2O6 and molecular weight 396.13 g/mol. IUPAC: ethyl 4-[3-(1,3-benzodioxol-5-ylmethylamino)-2,5-dioxopyrrolidin-1-yl]benzoate.
Chemical Property Profile of Ethyl 4-[3-(1,3-benzodioxol-5-ylmethylamino)-2,5-dioxopyrrolidin-1-yl]benzoate
Property Insights of Ethyl 4-[3-(1,3-benzodioxol-5-ylmethylamino)-2,5-dioxopyrrolidin-1-yl]benzoate
The XLogP value of 2.0137 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[3-(1,3-benzodioxol-5-ylmethylamino)-2,5-dioxopyrrolidin-1-yl]benzoate. The TPSA of 94.17 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[3-(1,3-benzodioxol-5-ylmethylamino)-2,5-dioxopyrrolidin-1-yl]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[3-(1,3-benzodioxol-5-ylmethylamino)-2,5-dioxopyrrolidin-1-yl]benzoate 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-[3-(1,3-benzodioxol-5-ylmethylamino)-2,5-dioxopyrrolidin-1-yl]benzoate?
The CAS number of Ethyl 4-[3-(1,3-benzodioxol-5-ylmethylamino)-2,5-dioxopyrrolidin-1-yl]benzoate is 355138-28-2.
What is the molecular formula of Ethyl 4-[3-(1,3-benzodioxol-5-ylmethylamino)-2,5-dioxopyrrolidin-1-yl]benzoate?
The molecular formula of Ethyl 4-[3-(1,3-benzodioxol-5-ylmethylamino)-2,5-dioxopyrrolidin-1-yl]benzoate is C21H20N2O6.
What is the molecular weight of Ethyl 4-[3-(1,3-benzodioxol-5-ylmethylamino)-2,5-dioxopyrrolidin-1-yl]benzoate?
The molecular weight of Ethyl 4-[3-(1,3-benzodioxol-5-ylmethylamino)-2,5-dioxopyrrolidin-1-yl]benzoate is 396.13 g/mol.
Where can I buy Ethyl 4-[3-(1,3-benzodioxol-5-ylmethylamino)-2,5-dioxopyrrolidin-1-yl]benzoate?
You can request a quote for Ethyl 4-[3-(1,3-benzodioxol-5-ylmethylamino)-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-(1,3-benzodioxol-5-ylmethylamino)-2,5-dioxopyrrolidin-1-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[3-(1,3-benzodioxol-5-ylmethylamino)-2,5-dioxopyrrolidin-1-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.