N-(4-bromo-2-fluorophenyl)-3-(3-methylphenyl)prop-2-enamide
TL;DR: N-(4-bromo-2-fluorophenyl)-3-(3-methylphenyl)prop-2-enamide (CAS 647031-52-5) is a chemical compound with molecular formula C16H13BrFNO and molecular weight 333.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-2-fluorophenyl)-3-(3-methylphenyl)prop-2-enamide
Also Known As: N-(4-bromo-2-fluorophenyl)-3-(3-methylphenyl)acrylamide, N-(4-bromo-2-fluorophenyl)-3-(3-methylphenyl)prop-2-enamide
| Molecular Formula | C16H13BrFNO |
|---|---|
| Molecular Weight | 333.02 g/mol |
| LogP | 4.54852 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.01645 |
| Heavy Atoms | 20 |
| Complexity | 667.2765 |
Chemical Identifiers
| CAS Number | 647031-52-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C=CC(=O)NC2=C(C=C(C=C2)Br)F |
Product Overview
N-(4-bromo-2-fluorophenyl)-3-(3-methylphenyl)prop-2-enamide (CAS 647031-52-5), with molecular formula C16H13BrFNO and molecular weight 333.02 g/mol. IUPAC: N-(4-bromo-2-fluorophenyl)-3-(3-methylphenyl)prop-2-enamide.
Chemical Property Profile of N-(4-bromo-2-fluorophenyl)-3-(3-methylphenyl)prop-2-enamide
Property Insights of N-(4-bromo-2-fluorophenyl)-3-(3-methylphenyl)prop-2-enamide
The XLogP value of 4.54852 indicates that N-(4-bromo-2-fluorophenyl)-3-(3-methylphenyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, N-(4-bromo-2-fluorophenyl)-3-(3-methylphenyl)prop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-bromo-2-fluorophenyl)-3-(3-methylphenyl)prop-2-enamide has 1 hydrogen bond donor(s) and 1 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-(4-bromo-2-fluorophenyl)-3-(3-methylphenyl)prop-2-enamide?
The CAS number of N-(4-bromo-2-fluorophenyl)-3-(3-methylphenyl)prop-2-enamide is 647031-52-5.
What is the molecular formula of N-(4-bromo-2-fluorophenyl)-3-(3-methylphenyl)prop-2-enamide?
The molecular formula of N-(4-bromo-2-fluorophenyl)-3-(3-methylphenyl)prop-2-enamide is C16H13BrFNO.
What is the molecular weight of N-(4-bromo-2-fluorophenyl)-3-(3-methylphenyl)prop-2-enamide?
The molecular weight of N-(4-bromo-2-fluorophenyl)-3-(3-methylphenyl)prop-2-enamide is 333.02 g/mol.
Where can I buy N-(4-bromo-2-fluorophenyl)-3-(3-methylphenyl)prop-2-enamide?
You can request a quote for N-(4-bromo-2-fluorophenyl)-3-(3-methylphenyl)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 N-(4-bromo-2-fluorophenyl)-3-(3-methylphenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-bromo-2-fluorophenyl)-3-(3-methylphenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.