N-(5-bromo-1,3-benzodioxol-4-yl)-2-(diethylamino)acetamide
TL;DR: N-(5-bromo-1,3-benzodioxol-4-yl)-2-(diethylamino)acetamide (CAS 487009-06-3) is a chemical compound with molecular formula C13H17BrN2O3 and molecular weight 328.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-bromo-1,3-benzodioxol-4-yl)-2-(diethylamino)acetamide
Also Known As: N-(5-bromo-1,3-benzodioxol-4-yl)-2-(diethylamino)acetamide, N-(5-bromobenzo[1,3]dioxol-4-yl)-2-diethylamino-acetamide, N-(5-bromo-1,3-benzodioxol-4-yl)-N~2~,N~2~-diethylglycinamide
| Molecular Formula | C13H17BrN2O3 |
|---|---|
| Molecular Weight | 328.04 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.04224 |
| Heavy Atoms | 19 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 487009-06-3 |
|---|---|
| SMILES | CCN(CC)CC(=O)NC1=C(C=CC2=C1OCO2)Br |
| InChIKey | HAJUIGOEXWFTAW-UHFFFAOYSA-N |
Product Overview
N-(5-bromo-1,3-benzodioxol-4-yl)-2-(diethylamino)acetamide (CAS 487009-06-3), with molecular formula C13H17BrN2O3 and molecular weight 328.04 g/mol. IUPAC: N-(5-bromo-1,3-benzodioxol-4-yl)-2-(diethylamino)acetamide.
Chemical Property Profile of N-(5-bromo-1,3-benzodioxol-4-yl)-2-(diethylamino)acetamide
Property Insights of N-(5-bromo-1,3-benzodioxol-4-yl)-2-(diethylamino)acetamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-bromo-1,3-benzodioxol-4-yl)-2-(diethylamino)acetamide. With a topological polar surface area (TPSA) of 50.8 Ų, N-(5-bromo-1,3-benzodioxol-4-yl)-2-(diethylamino)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(5-bromo-1,3-benzodioxol-4-yl)-2-(diethylamino)acetamide 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-(5-bromo-1,3-benzodioxol-4-yl)-2-(diethylamino)acetamide?
The CAS number of N-(5-bromo-1,3-benzodioxol-4-yl)-2-(diethylamino)acetamide is 487009-06-3.
What is the molecular formula of N-(5-bromo-1,3-benzodioxol-4-yl)-2-(diethylamino)acetamide?
The molecular formula of N-(5-bromo-1,3-benzodioxol-4-yl)-2-(diethylamino)acetamide is C13H17BrN2O3.
What is the molecular weight of N-(5-bromo-1,3-benzodioxol-4-yl)-2-(diethylamino)acetamide?
The molecular weight of N-(5-bromo-1,3-benzodioxol-4-yl)-2-(diethylamino)acetamide is 328.04 g/mol.
Where can I buy N-(5-bromo-1,3-benzodioxol-4-yl)-2-(diethylamino)acetamide?
You can request a quote for N-(5-bromo-1,3-benzodioxol-4-yl)-2-(diethylamino)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-bromo-1,3-benzodioxol-4-yl)-2-(diethylamino)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-bromo-1,3-benzodioxol-4-yl)-2-(diethylamino)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.