![3-{4-[(2-Cyanobenzyl)oxy]-3-methoxyphenyl}acrylic acid structure](/static/products/116/1164478-53-8.png)
3-{4-[(2-Cyanobenzyl)oxy]-3-methoxyphenyl}acrylic acid
TL;DR: 3-{4-[(2-Cyanobenzyl)oxy]-3-methoxyphenyl}acrylic acid (CAS 1164478-53-8) is a chemical compound with molecular formula C18H15NO4 and molecular weight 309.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl]prop-2-enoic acid
Also Known As: 3-{4-[(2-cyanobenzyl)oxy]-3-methoxyphenyl}acrylic acid, AH-487/42922073, (E)-3-[4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl]prop-2-enoic acid, (2E)-3-{4-[(2-cyanobenzyl)oxy]-3-methoxyphenyl}prop-2-enoic acid
| Molecular Formula | C18H15NO4 |
|---|---|
| Molecular Weight | 309.10 g/mol |
| LogP | 3.24368 |
| Topological Polar Surface Area | 79.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.1001 |
| Heavy Atoms | 23 |
| Complexity | 774.8313 |
Chemical Identifiers
| CAS Number | 1164478-53-8 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/C(=O)O)OCC2=CC=CC=C2C#N |
Product Overview
3-{4-[(2-Cyanobenzyl)oxy]-3-methoxyphenyl}acrylic acid (CAS 1164478-53-8), with molecular formula C18H15NO4 and molecular weight 309.10 g/mol. IUPAC: (E)-3-[4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl]prop-2-enoic acid.
Chemical Property Profile of 3-{4-[(2-Cyanobenzyl)oxy]-3-methoxyphenyl}acrylic acid
Property Insights of 3-{4-[(2-Cyanobenzyl)oxy]-3-methoxyphenyl}acrylic acid
The XLogP value of 3.24368 indicates that 3-{4-[(2-Cyanobenzyl)oxy]-3-methoxyphenyl}acrylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{4-[(2-Cyanobenzyl)oxy]-3-methoxyphenyl}acrylic acid. Following Lipinski's Rule of Five, 3-{4-[(2-Cyanobenzyl)oxy]-3-methoxyphenyl}acrylic acid has 1 hydrogen bond donor(s) and 4 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-[(2-Cyanobenzyl)oxy]-3-methoxyphenyl}acrylic acid?
The CAS number of 3-{4-[(2-Cyanobenzyl)oxy]-3-methoxyphenyl}acrylic acid is 1164478-53-8.
What is the molecular formula of 3-{4-[(2-Cyanobenzyl)oxy]-3-methoxyphenyl}acrylic acid?
The molecular formula of 3-{4-[(2-Cyanobenzyl)oxy]-3-methoxyphenyl}acrylic acid is C18H15NO4.
What is the molecular weight of 3-{4-[(2-Cyanobenzyl)oxy]-3-methoxyphenyl}acrylic acid?
The molecular weight of 3-{4-[(2-Cyanobenzyl)oxy]-3-methoxyphenyl}acrylic acid is 309.10 g/mol.
Where can I buy 3-{4-[(2-Cyanobenzyl)oxy]-3-methoxyphenyl}acrylic acid?
You can request a quote for 3-{4-[(2-Cyanobenzyl)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-[(2-Cyanobenzyl)oxy]-3-methoxyphenyl}acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{4-[(2-Cyanobenzyl)oxy]-3-methoxyphenyl}acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.