![3-{4-[(4-Chlorobenzyl)oxy]-3-methoxyphenyl}acrylic acid structure](/static/products/879/879643-19-3.png)
3-{4-[(4-Chlorobenzyl)oxy]-3-methoxyphenyl}acrylic acid
TL;DR: 3-{4-[(4-Chlorobenzyl)oxy]-3-methoxyphenyl}acrylic acid (CAS 879643-19-3) is a chemical compound with molecular formula C17H15ClO4 and molecular weight 318.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enoic acid
Also Known As: 3-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}acrylic acid, AS-871/13716083, (2E)-3-{4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}prop-2-enoic acid, (E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enoic acid, (2E)-3-{4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}prop-2-enoicacid
| Molecular Formula | C17H15ClO4 |
|---|---|
| Molecular Weight | 318.07 g/mol |
| LogP | 4.0254 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.0659 |
| Heavy Atoms | 22 |
| Complexity | 677.55835 |
Chemical Identifiers
| CAS Number | 879643-19-3 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/C(=O)O)OCC2=CC=C(C=C2)Cl |
Product Overview
3-{4-[(4-Chlorobenzyl)oxy]-3-methoxyphenyl}acrylic acid (CAS 879643-19-3), with molecular formula C17H15ClO4 and molecular weight 318.07 g/mol. IUPAC: (E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enoic acid.
Chemical Property Profile of 3-{4-[(4-Chlorobenzyl)oxy]-3-methoxyphenyl}acrylic acid
Property Insights of 3-{4-[(4-Chlorobenzyl)oxy]-3-methoxyphenyl}acrylic acid
The XLogP value of 4.0254 indicates that 3-{4-[(4-Chlorobenzyl)oxy]-3-methoxyphenyl}acrylic 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-{4-[(4-Chlorobenzyl)oxy]-3-methoxyphenyl}acrylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{4-[(4-Chlorobenzyl)oxy]-3-methoxyphenyl}acrylic 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-{4-[(4-Chlorobenzyl)oxy]-3-methoxyphenyl}acrylic acid?
The CAS number of 3-{4-[(4-Chlorobenzyl)oxy]-3-methoxyphenyl}acrylic acid is 879643-19-3.
What is the molecular formula of 3-{4-[(4-Chlorobenzyl)oxy]-3-methoxyphenyl}acrylic acid?
The molecular formula of 3-{4-[(4-Chlorobenzyl)oxy]-3-methoxyphenyl}acrylic acid is C17H15ClO4.
What is the molecular weight of 3-{4-[(4-Chlorobenzyl)oxy]-3-methoxyphenyl}acrylic acid?
The molecular weight of 3-{4-[(4-Chlorobenzyl)oxy]-3-methoxyphenyl}acrylic acid is 318.07 g/mol.
Where can I buy 3-{4-[(4-Chlorobenzyl)oxy]-3-methoxyphenyl}acrylic acid?
You can request a quote for 3-{4-[(4-Chlorobenzyl)oxy]-3-methoxyphenyl}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-{4-[(4-Chlorobenzyl)oxy]-3-methoxyphenyl}acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{4-[(4-Chlorobenzyl)oxy]-3-methoxyphenyl}acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.