N-(1,3-benzodioxol-5-yl)-3-(4-ethylpiperazin-1-yl)propanamide
TL;DR: N-(1,3-benzodioxol-5-yl)-3-(4-ethylpiperazin-1-yl)propanamide (CAS 441745-47-7) is a chemical compound with molecular formula C16H23N3O3 and molecular weight 305.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-3-(4-ethylpiperazin-1-yl)propanamide
Also Known As: BAS 03086281, N-(1,3-benzodioxol-5-yl)-3-(4-ethylpiperazin-1-yl)propanamide, AT-057/40684280, N-(1,3-benzodioxol-5-yl)-3-(4-ethyl-1-piperazinyl)propanamide, N-Benzo[1,3]dioxol-5-yl-3-(4-ethyl-piperazin-1-yl)-propionamide
| Molecular Formula | C16H23N3O3 |
|---|---|
| Molecular Weight | 305.17 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.17395 |
| Heavy Atoms | 22 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 441745-47-7 |
|---|---|
| SMILES | CCN1CCN(CC1)CCC(=O)NC2=CC3=C(C=C2)OCO3 |
| InChIKey | QQGCLIXTXDJZQA-UHFFFAOYSA-N |
Product Overview
N-(1,3-benzodioxol-5-yl)-3-(4-ethylpiperazin-1-yl)propanamide (CAS 441745-47-7), with molecular formula C16H23N3O3 and molecular weight 305.17 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-3-(4-ethylpiperazin-1-yl)propanamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-3-(4-ethylpiperazin-1-yl)propanamide
Property Insights of N-(1,3-benzodioxol-5-yl)-3-(4-ethylpiperazin-1-yl)propanamide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-yl)-3-(4-ethylpiperazin-1-yl)propanamide. With a topological polar surface area (TPSA) of 54.0 Ų, N-(1,3-benzodioxol-5-yl)-3-(4-ethylpiperazin-1-yl)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-3-(4-ethylpiperazin-1-yl)propanamide has 1 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 N-(1,3-benzodioxol-5-yl)-3-(4-ethylpiperazin-1-yl)propanamide?
The CAS number of N-(1,3-benzodioxol-5-yl)-3-(4-ethylpiperazin-1-yl)propanamide is 441745-47-7.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-3-(4-ethylpiperazin-1-yl)propanamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-3-(4-ethylpiperazin-1-yl)propanamide is C16H23N3O3.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-3-(4-ethylpiperazin-1-yl)propanamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-3-(4-ethylpiperazin-1-yl)propanamide is 305.17 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-3-(4-ethylpiperazin-1-yl)propanamide?
You can request a quote for N-(1,3-benzodioxol-5-yl)-3-(4-ethylpiperazin-1-yl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-yl)-3-(4-ethylpiperazin-1-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-3-(4-ethylpiperazin-1-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.