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N-(1,3-benzodioxol-5-yl)-3-[benzyl(methyl)amino]propanamide
TL;DR: N-(1,3-benzodioxol-5-yl)-3-[benzyl(methyl)amino]propanamide (CAS 428834-01-9) is a chemical compound with molecular formula C18H20N2O3 and molecular weight 312.15 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-[benzyl(methyl)amino]propanamide
Also Known As: TimTec1_007233, BAS 03086273, N-(1,3-benzodioxol-5-yl)-3-[benzyl(methyl)amino]propanamide, AT-057/43314237, N-Benzo[1,3]dioxol-5-yl-3-(benzyl-methyl-amino)-propionamide
| Molecular Formula | C18H20N2O3 |
|---|---|
| Molecular Weight | 312.15 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 312.1474 |
| Heavy Atoms | 23 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 428834-01-9 |
|---|---|
| SMILES | CN(CCC(=O)NC1=CC2=C(C=C1)OCO2)CC3=CC=CC=C3 |
| InChIKey | HNNHNRDDZWGPAT-UHFFFAOYSA-N |
Product Overview
N-(1,3-benzodioxol-5-yl)-3-[benzyl(methyl)amino]propanamide (CAS 428834-01-9), with molecular formula C18H20N2O3 and molecular weight 312.15 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-3-[benzyl(methyl)amino]propanamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-3-[benzyl(methyl)amino]propanamide
Property Insights of N-(1,3-benzodioxol-5-yl)-3-[benzyl(methyl)amino]propanamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-yl)-3-[benzyl(methyl)amino]propanamide. With a topological polar surface area (TPSA) of 50.8 Ų, N-(1,3-benzodioxol-5-yl)-3-[benzyl(methyl)amino]propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-3-[benzyl(methyl)amino]propanamide has 1 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 N-(1,3-benzodioxol-5-yl)-3-[benzyl(methyl)amino]propanamide?
The CAS number of N-(1,3-benzodioxol-5-yl)-3-[benzyl(methyl)amino]propanamide is 428834-01-9.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-3-[benzyl(methyl)amino]propanamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-3-[benzyl(methyl)amino]propanamide is C18H20N2O3.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-3-[benzyl(methyl)amino]propanamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-3-[benzyl(methyl)amino]propanamide is 312.15 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-3-[benzyl(methyl)amino]propanamide?
You can request a quote for N-(1,3-benzodioxol-5-yl)-3-[benzyl(methyl)amino]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-[benzyl(methyl)amino]propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-3-[benzyl(methyl)amino]propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.