N-(1,3-benzodioxol-5-yl)-3-ethoxypropanamide
TL;DR: N-(1,3-benzodioxol-5-yl)-3-ethoxypropanamide (CAS 831236-86-3) is a chemical compound with molecular formula C12H15NO4 and molecular weight 237.10 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-ethoxypropanamide
Also Known As: N-(1,3-benzodioxol-5-yl)-3-ethoxypropanamide, N-(2H-1,3-BENZODIOXOL-5-YL)-3-ETHOXYPROPANAMIDE, N-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-3-ethoxypropanamide
| Molecular Formula | C12H15NO4 |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | 1.7804 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 237.10011 |
| Heavy Atoms | 17 |
| Complexity | 405.49216 |
Chemical Identifiers
| CAS Number | 831236-86-3 |
|---|---|
| SMILES | CCOCCC(=O)NC1=CC2=C(C=C1)OCO2 |
Product Overview
N-(1,3-benzodioxol-5-yl)-3-ethoxypropanamide (CAS 831236-86-3), with molecular formula C12H15NO4 and molecular weight 237.10 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-3-ethoxypropanamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-3-ethoxypropanamide
Property Insights of N-(1,3-benzodioxol-5-yl)-3-ethoxypropanamide
The XLogP value of 1.7804 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-yl)-3-ethoxypropanamide. With a topological polar surface area (TPSA) of 56.79 Ų, N-(1,3-benzodioxol-5-yl)-3-ethoxypropanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-3-ethoxypropanamide 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-ethoxypropanamide?
The CAS number of N-(1,3-benzodioxol-5-yl)-3-ethoxypropanamide is 831236-86-3.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-3-ethoxypropanamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-3-ethoxypropanamide is C12H15NO4.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-3-ethoxypropanamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-3-ethoxypropanamide is 237.10 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-3-ethoxypropanamide?
You can request a quote for N-(1,3-benzodioxol-5-yl)-3-ethoxypropanamide 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-ethoxypropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-3-ethoxypropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.