3-{3-Methoxy-4-(benzyloxy)phenyl}acrylic acid
TL;DR: 3-{3-Methoxy-4-(benzyloxy)phenyl}acrylic acid (CAS 77795-22-3) is a chemical compound with molecular formula C17H16O4 and molecular weight 284.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoic acid
Also Known As: 3-methoxy-4-benzyloxycinnamic acid, 4-BENZYLOXY-3-METHOXYCINNAMIC ACID, NCI60_001323, 3-(4-(Benzyloxy)-3-methoxyphenyl)acrylicacid, 3-(4-(Benzyloxy)-3-methoxyphenyl)acrylic acid
| Molecular Formula | C17H16O4 |
|---|---|
| Molecular Weight | 284.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.10486 |
| Heavy Atoms | 21 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 77795-22-3 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C=CC(=O)O)OCC2=CC=CC=C2 |
| InChIKey | WSOBQOYHYGVEIR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-{3-Methoxy-4-(benzyloxy)phenyl}acrylic acid (CAS 77795-22-3), with molecular formula C17H16O4 and molecular weight 284.10 g/mol. IUPAC: 3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoic acid.
Chemical Property Profile of 3-{3-Methoxy-4-(benzyloxy)phenyl}acrylic acid
Property Insights of 3-{3-Methoxy-4-(benzyloxy)phenyl}acrylic acid
The XLogP value of 3.1 indicates that 3-{3-Methoxy-4-(benzyloxy)phenyl}acrylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 3-{3-Methoxy-4-(benzyloxy)phenyl}acrylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{3-Methoxy-4-(benzyloxy)phenyl}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-{3-Methoxy-4-(benzyloxy)phenyl}acrylic acid?
The CAS number of 3-{3-Methoxy-4-(benzyloxy)phenyl}acrylic acid is 77795-22-3.
What is the molecular formula of 3-{3-Methoxy-4-(benzyloxy)phenyl}acrylic acid?
The molecular formula of 3-{3-Methoxy-4-(benzyloxy)phenyl}acrylic acid is C17H16O4.
What is the molecular weight of 3-{3-Methoxy-4-(benzyloxy)phenyl}acrylic acid?
The molecular weight of 3-{3-Methoxy-4-(benzyloxy)phenyl}acrylic acid is 284.10 g/mol.
Where can I buy 3-{3-Methoxy-4-(benzyloxy)phenyl}acrylic acid?
You can request a quote for 3-{3-Methoxy-4-(benzyloxy)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-Methoxy-4-(benzyloxy)phenyl}acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{3-Methoxy-4-(benzyloxy)phenyl}acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.