![[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-4-ylmethanone structure](/static/products/7803/78031-41-1.webp)
[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-4-ylmethanone
TL;DR: [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-4-ylmethanone (CAS 78031-41-1) is a chemical compound with molecular formula C18H19N3O3 and molecular weight 325.14 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]-pyridin-4-ylmethanone
Also Known As: BAS 01042105, [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-4-ylmethanone, 1-(1,3-benzodioxol-5-ylmethyl)-4-(pyridin-4-ylcarbonyl)piperazine, (4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-pyridin-4-yl-methanone, [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](pyridin-4-yl)methanone
| Molecular Formula | C18H19N3O3 |
|---|---|
| Molecular Weight | 325.14 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 54.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.14264 |
| Heavy Atoms | 24 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 78031-41-1 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=NC=C4 |
| InChIKey | PMDIQFZKSPZJAC-UHFFFAOYSA-N |
Product Overview
[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-4-ylmethanone (CAS 78031-41-1), with molecular formula C18H19N3O3 and molecular weight 325.14 g/mol. IUPAC: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-4-ylmethanone.
Chemical Property Profile of [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-4-ylmethanone
Property Insights of [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-4-ylmethanone
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-4-ylmethanone. With a topological polar surface area (TPSA) of 54.9 Ų, [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-4-ylmethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-4-ylmethanone has 0 hydrogen bond donor(s) and 5 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-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The CAS number of [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-4-ylmethanone is 78031-41-1.
What is the molecular formula of [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The molecular formula of [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-4-ylmethanone is C18H19N3O3.
What is the molecular weight of [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The molecular weight of [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-4-ylmethanone is 325.14 g/mol.
Where can I buy [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-4-ylmethanone?
You can request a quote for [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-4-ylmethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-4-ylmethanone?
Yes, KEHONG BIO provides custom synthesis services for [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-4-ylmethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.