![5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl)-3-bromo-2H-pyran-2-one structure](/static/products/672/672271-28-2.png)
5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl)-3-bromo-2H-pyran-2-one
TL;DR: 5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl)-3-bromo-2H-pyran-2-one (CAS 672271-28-2) is a chemical compound with molecular formula C18H17BrN2O5 and molecular weight 420.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3-bromopyran-2-one
Also Known As: 5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl)-3-bromo-2H-pyran-2-one, 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3-bromopyran-2-one, 5-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl]-3-bromo-pyran-2-one, 5-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}-3-bromo-2H-pyran-2-one
| Molecular Formula | C18H17BrN2O5 |
|---|---|
| Molecular Weight | 420.03 g/mol |
| LogP | 2.089 |
| Topological Polar Surface Area | 72.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 420.03207 |
| Heavy Atoms | 26 |
| Complexity | 889.39044 |
Chemical Identifiers
| CAS Number | 672271-28-2 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=COC(=O)C(=C4)Br |
Product Overview
5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl)-3-bromo-2H-pyran-2-one (CAS 672271-28-2), with molecular formula C18H17BrN2O5 and molecular weight 420.03 g/mol. IUPAC: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3-bromopyran-2-one.
Chemical Property Profile of 5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl)-3-bromo-2H-pyran-2-one
Property Insights of 5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl)-3-bromo-2H-pyran-2-one
The XLogP value of 2.089 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl)-3-bromo-2H-pyran-2-one. The TPSA of 72.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl)-3-bromo-2H-pyran-2-one. Following Lipinski's Rule of Five, 5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl)-3-bromo-2H-pyran-2-one has 0 hydrogen bond donor(s) and 6 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 5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl)-3-bromo-2H-pyran-2-one?
The CAS number of 5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl)-3-bromo-2H-pyran-2-one is 672271-28-2.
What is the molecular formula of 5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl)-3-bromo-2H-pyran-2-one?
The molecular formula of 5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl)-3-bromo-2H-pyran-2-one is C18H17BrN2O5.
What is the molecular weight of 5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl)-3-bromo-2H-pyran-2-one?
The molecular weight of 5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl)-3-bromo-2H-pyran-2-one is 420.03 g/mol.
Where can I buy 5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl)-3-bromo-2H-pyran-2-one?
You can request a quote for 5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl)-3-bromo-2H-pyran-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl)-3-bromo-2H-pyran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl)-3-bromo-2H-pyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.