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Benzo[1,3]dioxol-5-yl-(4-benzyl-piperidin-1-yl)-methanone
TL;DR: Benzo[1,3]dioxol-5-yl-(4-benzyl-piperidin-1-yl)-methanone (CAS 260428-23-7) is a chemical compound with molecular formula C20H21NO3 and molecular weight 323.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-yl-(4-benzylpiperidin-1-yl)methanone
Also Known As: BIM-0023530.P001, Benzo[1,3]dioxol-5-yl-(4-benzyl-piperidin-1-yl)-methanone, 1,3-benzodioxol-5-yl-(4-benzylpiperidin-1-yl)methanone, 1-(1,3-benzodioxol-5-ylcarbonyl)-4-benzylpiperidine, AB00088308-01
| Molecular Formula | C20H21NO3 |
|---|---|
| Molecular Weight | 323.15 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.15213 |
| Heavy Atoms | 24 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 260428-23-7 |
|---|---|
| SMILES | C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4 |
| InChIKey | NGALFKPFMUEMSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzo[1,3]dioxol-5-yl-(4-benzyl-piperidin-1-yl)-methanone (CAS 260428-23-7), with molecular formula C20H21NO3 and molecular weight 323.15 g/mol. IUPAC: 1,3-benzodioxol-5-yl-(4-benzylpiperidin-1-yl)methanone.
Chemical Property Profile of Benzo[1,3]dioxol-5-yl-(4-benzyl-piperidin-1-yl)-methanone
Property Insights of Benzo[1,3]dioxol-5-yl-(4-benzyl-piperidin-1-yl)-methanone
The XLogP value of 3.9 indicates that Benzo[1,3]dioxol-5-yl-(4-benzyl-piperidin-1-yl)-methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, Benzo[1,3]dioxol-5-yl-(4-benzyl-piperidin-1-yl)-methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[1,3]dioxol-5-yl-(4-benzyl-piperidin-1-yl)-methanone has 0 hydrogen bond donor(s) and 3 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 Benzo[1,3]dioxol-5-yl-(4-benzyl-piperidin-1-yl)-methanone?
The CAS number of Benzo[1,3]dioxol-5-yl-(4-benzyl-piperidin-1-yl)-methanone is 260428-23-7.
What is the molecular formula of Benzo[1,3]dioxol-5-yl-(4-benzyl-piperidin-1-yl)-methanone?
The molecular formula of Benzo[1,3]dioxol-5-yl-(4-benzyl-piperidin-1-yl)-methanone is C20H21NO3.
What is the molecular weight of Benzo[1,3]dioxol-5-yl-(4-benzyl-piperidin-1-yl)-methanone?
The molecular weight of Benzo[1,3]dioxol-5-yl-(4-benzyl-piperidin-1-yl)-methanone is 323.15 g/mol.
Where can I buy Benzo[1,3]dioxol-5-yl-(4-benzyl-piperidin-1-yl)-methanone?
You can request a quote for Benzo[1,3]dioxol-5-yl-(4-benzyl-piperidin-1-yl)-methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[1,3]dioxol-5-yl-(4-benzyl-piperidin-1-yl)-methanone?
Yes, KEHONG BIO provides custom synthesis services for Benzo[1,3]dioxol-5-yl-(4-benzyl-piperidin-1-yl)-methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.