![3-(6-bromo-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]prop-2-enamide structure](/static/products/1164/1164529-57-0.webp)
3-(6-bromo-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
TL;DR: 3-(6-bromo-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]prop-2-enamide (CAS 1164529-57-0) is a chemical compound with molecular formula C17H13BrFNO3 and molecular weight 377.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-bromo-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
Also Known As: Bionet1_004278, (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-N-(4-fluorobenzyl)-2-propenamide, 3-(6-bromo-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
| Molecular Formula | C17H13BrFNO3 |
|---|---|
| Molecular Weight | 377.01 g/mol |
| LogP | 3.6465 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.0063 |
| Heavy Atoms | 23 |
| Complexity | 759.17896 |
Chemical Identifiers
| CAS Number | 1164529-57-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)C=CC(=O)NCC3=CC=C(C=C3)F)Br |
Product Overview
3-(6-bromo-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]prop-2-enamide (CAS 1164529-57-0), with molecular formula C17H13BrFNO3 and molecular weight 377.01 g/mol. IUPAC: 3-(6-bromo-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]prop-2-enamide.
Chemical Property Profile of 3-(6-bromo-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
Property Insights of 3-(6-bromo-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
The XLogP value of 3.6465 indicates that 3-(6-bromo-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, 3-(6-bromo-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]prop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(6-bromo-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]prop-2-enamide has 1 hydrogen bond donor(s) and 3 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 3-(6-bromo-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]prop-2-enamide?
The CAS number of 3-(6-bromo-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]prop-2-enamide is 1164529-57-0.
What is the molecular formula of 3-(6-bromo-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]prop-2-enamide?
The molecular formula of 3-(6-bromo-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]prop-2-enamide is C17H13BrFNO3.
What is the molecular weight of 3-(6-bromo-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]prop-2-enamide?
The molecular weight of 3-(6-bromo-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]prop-2-enamide is 377.01 g/mol.
Where can I buy 3-(6-bromo-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]prop-2-enamide?
You can request a quote for 3-(6-bromo-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(6-bromo-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(6-bromo-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.