N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromophenoxy)propanamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromophenoxy)propanamide (CAS 701256-79-3) is a chemical compound with molecular formula C17H16BrNO4 and molecular weight 377.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromophenoxy)propanamide
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromophenoxy)propanamide
| Molecular Formula | C17H16BrNO4 |
|---|---|
| Molecular Weight | 377.03 g/mol |
| LogP | 3.2615 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.02628 |
| Heavy Atoms | 23 |
| Complexity | 702.2396 |
Chemical Identifiers
| CAS Number | 701256-79-3 |
|---|---|
| SMILES | CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC3=CC=C(C=C3)Br |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromophenoxy)propanamide (CAS 701256-79-3), with molecular formula C17H16BrNO4 and molecular weight 377.03 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromophenoxy)propanamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromophenoxy)propanamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromophenoxy)propanamide
The XLogP value of 3.2615 indicates that N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromophenoxy)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.79 Ų, N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromophenoxy)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromophenoxy)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-ylmethyl)-2-(4-bromophenoxy)propanamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromophenoxy)propanamide is 701256-79-3.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromophenoxy)propanamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromophenoxy)propanamide is C17H16BrNO4.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromophenoxy)propanamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromophenoxy)propanamide is 377.03 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromophenoxy)propanamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromophenoxy)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-ylmethyl)-2-(4-bromophenoxy)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromophenoxy)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.