(4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)(4-bromophenyl)methanone
TL;DR: (4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)(4-bromophenyl)methanone (CAS 349613-41-8) is a chemical compound with molecular formula C19H19BrN2O3 and molecular weight 402.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-bromophenyl)methanone
Also Known As: (4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)(4-bromophenyl)methanone, [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-bromophenyl)methanone, F1318-0128, 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-bromobenzoyl)piperazine, 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-bromobenzoyl)piperazine
| Molecular Formula | C19H19BrN2O3 |
|---|---|
| Molecular Weight | 402.06 g/mol |
| LogP | 3.1358 |
| Topological Polar Surface Area | 42.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.05792 |
| Heavy Atoms | 25 |
| Complexity | 770.7387 |
Chemical Identifiers
| CAS Number | 349613-41-8 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)Br |
Product Overview
(4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)(4-bromophenyl)methanone (CAS 349613-41-8), with molecular formula C19H19BrN2O3 and molecular weight 402.06 g/mol. IUPAC: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-bromophenyl)methanone.
Chemical Property Profile of (4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)(4-bromophenyl)methanone
Property Insights of (4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)(4-bromophenyl)methanone
The XLogP value of 3.1358 indicates that (4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)(4-bromophenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.01 Ų, (4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)(4-bromophenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)(4-bromophenyl)methanone has 0 hydrogen bond donor(s) and 4 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 (4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)(4-bromophenyl)methanone?
The CAS number of (4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)(4-bromophenyl)methanone is 349613-41-8.
What is the molecular formula of (4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)(4-bromophenyl)methanone?
The molecular formula of (4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)(4-bromophenyl)methanone is C19H19BrN2O3.
What is the molecular weight of (4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)(4-bromophenyl)methanone?
The molecular weight of (4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)(4-bromophenyl)methanone is 402.06 g/mol.
Where can I buy (4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)(4-bromophenyl)methanone?
You can request a quote for (4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)(4-bromophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)(4-bromophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)(4-bromophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.