![3-{3-Chloro-4-[(4-fluorobenzyl)oxy]phenyl}acrylic acid structure](/static/products/7232/723247-04-9.webp)
3-{3-Chloro-4-[(4-fluorobenzyl)oxy]phenyl}acrylic acid
TL;DR: 3-{3-Chloro-4-[(4-fluorobenzyl)oxy]phenyl}acrylic acid (CAS 723247-04-9) is a chemical compound with molecular formula C16H12ClFO3 and molecular weight 306.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
Also Known As: AH-487/42921993, 3-{3-chloro-4-[(4-fluorobenzyl)oxy]phenyl}acrylic acid, 3-[3-Chloro-4-[(4-fluorophenyl)methoxy]phenyl]-2-propenoic acid, (E)-3-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
| Molecular Formula | C16H12ClFO3 |
|---|---|
| Molecular Weight | 306.05 g/mol |
| LogP | 4.1559 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.0459 |
| Heavy Atoms | 21 |
| Complexity | 665.72235 |
Chemical Identifiers
| CAS Number | 723247-04-9 |
|---|---|
| SMILES | C1=CC(=CC=C1COC2=C(C=C(C=C2)/C=C/C(=O)O)Cl)F |
Product Overview
3-{3-Chloro-4-[(4-fluorobenzyl)oxy]phenyl}acrylic acid (CAS 723247-04-9), with molecular formula C16H12ClFO3 and molecular weight 306.05 g/mol. IUPAC: (E)-3-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoic acid.
Chemical Property Profile of 3-{3-Chloro-4-[(4-fluorobenzyl)oxy]phenyl}acrylic acid
Property Insights of 3-{3-Chloro-4-[(4-fluorobenzyl)oxy]phenyl}acrylic acid
The XLogP value of 4.1559 indicates that 3-{3-Chloro-4-[(4-fluorobenzyl)oxy]phenyl}acrylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, 3-{3-Chloro-4-[(4-fluorobenzyl)oxy]phenyl}acrylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{3-Chloro-4-[(4-fluorobenzyl)oxy]phenyl}acrylic acid has 1 hydrogen bond donor(s) and 2 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-Chloro-4-[(4-fluorobenzyl)oxy]phenyl}acrylic acid?
The CAS number of 3-{3-Chloro-4-[(4-fluorobenzyl)oxy]phenyl}acrylic acid is 723247-04-9.
What is the molecular formula of 3-{3-Chloro-4-[(4-fluorobenzyl)oxy]phenyl}acrylic acid?
The molecular formula of 3-{3-Chloro-4-[(4-fluorobenzyl)oxy]phenyl}acrylic acid is C16H12ClFO3.
What is the molecular weight of 3-{3-Chloro-4-[(4-fluorobenzyl)oxy]phenyl}acrylic acid?
The molecular weight of 3-{3-Chloro-4-[(4-fluorobenzyl)oxy]phenyl}acrylic acid is 306.05 g/mol.
Where can I buy 3-{3-Chloro-4-[(4-fluorobenzyl)oxy]phenyl}acrylic acid?
You can request a quote for 3-{3-Chloro-4-[(4-fluorobenzyl)oxy]phenyl}acrylic 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-Chloro-4-[(4-fluorobenzyl)oxy]phenyl}acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{3-Chloro-4-[(4-fluorobenzyl)oxy]phenyl}acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.