![3-{3-Bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}prop-2-enoic acid structure](/static/products/5379/5379-51-1.webp)
3-{3-Bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}prop-2-enoic acid
TL;DR: 3-{3-Bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}prop-2-enoic acid (CAS 5379-51-1) is a chemical compound with molecular formula C17H14BrFO4 and molecular weight 380.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]prop-2-enoic acid
Also Known As: 3-{3-Bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}prop-2-enoic acid, 3-[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxy-phenyl]prop-2-enoic Acid, 3-[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]prop-2-enoic acid
| Molecular Formula | C17H14BrFO4 |
|---|---|
| Molecular Weight | 380.01 g/mol |
| LogP | 4.2736 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.00595 |
| Heavy Atoms | 23 |
| Complexity | 743.3684 |
Chemical Identifiers
| CAS Number | 5379-51-1 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C=CC(=O)O)Br)OCC2=CC(=CC=C2)F |
Product Overview
3-{3-Bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}prop-2-enoic acid (CAS 5379-51-1), with molecular formula C17H14BrFO4 and molecular weight 380.01 g/mol. IUPAC: 3-[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]prop-2-enoic acid.
Chemical Property Profile of 3-{3-Bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}prop-2-enoic acid
Property Insights of 3-{3-Bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}prop-2-enoic acid
The XLogP value of 4.2736 indicates that 3-{3-Bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}prop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.76 Ų, 3-{3-Bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{3-Bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}prop-2-enoic acid 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-{3-Bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}prop-2-enoic acid?
The CAS number of 3-{3-Bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}prop-2-enoic acid is 5379-51-1.
What is the molecular formula of 3-{3-Bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}prop-2-enoic acid?
The molecular formula of 3-{3-Bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}prop-2-enoic acid is C17H14BrFO4.
What is the molecular weight of 3-{3-Bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}prop-2-enoic acid?
The molecular weight of 3-{3-Bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}prop-2-enoic acid is 380.01 g/mol.
Where can I buy 3-{3-Bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}prop-2-enoic acid?
You can request a quote for 3-{3-Bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{3-Bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{3-Bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl}prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.