![Butyl 4-{3-[(1,3-benzodioxol-5-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl}benzoate structure](/static/products/3679/367928-97-0.webp)
Butyl 4-{3-[(1,3-benzodioxol-5-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl}benzoate
TL;DR: Butyl 4-{3-[(1,3-benzodioxol-5-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl}benzoate (CAS 367928-97-0) is a chemical compound with molecular formula C23H24N2O6 and molecular weight 424.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[3-(1,3-benzodioxol-5-ylmethylamino)-2,5-dioxopyrrolidin-1-yl]benzoate
Also Known As: AJ-292/40762808, butyl 4-(3-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-2,5-dioxopyrrolidin-1-yl)benzoate, BUTYL 4-{3-[(1,3-BENZODIOXOL-5-YLMETHYL)AMINO]-2,5-DIOXO-1-PYRROLIDINYL}BENZOATE, butyl 4-{3-[(1,3-benzodioxol-5-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl}benzoate, butyl 4-[3-(1,3-benzodioxol-5-ylmethylamino)-2,5-dioxopyrrolidin-1-yl]benzoate
| Molecular Formula | C23H24N2O6 |
|---|---|
| Molecular Weight | 424.16 g/mol |
| LogP | 2.7939 |
| Topological Polar Surface Area | 94.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 424.16342 |
| Heavy Atoms | 31 |
| Complexity | 988.0613 |
Chemical Identifiers
| CAS Number | 367928-97-0 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)NCC3=CC4=C(C=C3)OCO4 |
Product Overview
Butyl 4-{3-[(1,3-benzodioxol-5-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl}benzoate (CAS 367928-97-0), with molecular formula C23H24N2O6 and molecular weight 424.16 g/mol. IUPAC: butyl 4-[3-(1,3-benzodioxol-5-ylmethylamino)-2,5-dioxopyrrolidin-1-yl]benzoate.
Chemical Property Profile of Butyl 4-{3-[(1,3-benzodioxol-5-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl}benzoate
Property Insights of Butyl 4-{3-[(1,3-benzodioxol-5-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl}benzoate
The XLogP value of 2.7939 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 4-{3-[(1,3-benzodioxol-5-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl}benzoate. The TPSA of 94.17 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 4-{3-[(1,3-benzodioxol-5-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl}benzoate. Following Lipinski's Rule of Five, Butyl 4-{3-[(1,3-benzodioxol-5-ylmethyl)amino]-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 Butyl 4-{3-[(1,3-benzodioxol-5-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl}benzoate?
The CAS number of Butyl 4-{3-[(1,3-benzodioxol-5-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl}benzoate is 367928-97-0.
What is the molecular formula of Butyl 4-{3-[(1,3-benzodioxol-5-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl}benzoate?
The molecular formula of Butyl 4-{3-[(1,3-benzodioxol-5-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl}benzoate is C23H24N2O6.
What is the molecular weight of Butyl 4-{3-[(1,3-benzodioxol-5-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl}benzoate?
The molecular weight of Butyl 4-{3-[(1,3-benzodioxol-5-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl}benzoate is 424.16 g/mol.
Where can I buy Butyl 4-{3-[(1,3-benzodioxol-5-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl}benzoate?
You can request a quote for Butyl 4-{3-[(1,3-benzodioxol-5-ylmethyl)amino]-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 Butyl 4-{3-[(1,3-benzodioxol-5-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-{3-[(1,3-benzodioxol-5-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.