![butyl 4-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate structure](/static/products/3619/361999-91-9.webp)
butyl 4-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate
TL;DR: butyl 4-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate (CAS 361999-91-9) is a chemical compound with molecular formula C27H31N3O6 and molecular weight 493.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate
Also Known As: butyl 4-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate, BUTYL 4-(3-{4-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]PIPERAZIN-1-YL}-2,5-DIOXOPYRROLIDIN-1-YL)BENZOATE, butyl 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate, Butyl 4-[3-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-2,5-dioxo-pyrrolidin-1-yl]benzoate, butyl 4-{3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate
| Molecular Formula | C27H31N3O6 |
|---|---|
| Molecular Weight | 493.22 g/mol |
| LogP | 2.8219 |
| Topological Polar Surface Area | 88.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 493.22128 |
| Heavy Atoms | 36 |
| Complexity | 1126.829 |
Chemical Identifiers
| CAS Number | 361999-91-9 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 |
Product Overview
butyl 4-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate (CAS 361999-91-9), with molecular formula C27H31N3O6 and molecular weight 493.22 g/mol. IUPAC: butyl 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate.
Chemical Property Profile of butyl 4-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate
Property Insights of butyl 4-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate
The XLogP value of 2.8219 suggests moderate lipophilicity, balancing water solubility and membrane permeability for butyl 4-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate. The TPSA of 88.62 Ų falls within the moderate polarity range, balancing permeability and solubility for butyl 4-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate. Following Lipinski's Rule of Five, butyl 4-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate has 0 hydrogen bond donor(s) and 8 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-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate?
The CAS number of butyl 4-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate is 361999-91-9.
What is the molecular formula of butyl 4-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate?
The molecular formula of butyl 4-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate is C27H31N3O6.
What is the molecular weight of butyl 4-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate?
The molecular weight of butyl 4-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate is 493.22 g/mol.
Where can I buy butyl 4-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate?
You can request a quote for butyl 4-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-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-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for butyl 4-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.