3-Benzyloxy-p-anisic acid
TL;DR: 3-Benzyloxy-p-anisic acid (CAS 58452-00-9) is a chemical compound with molecular formula C15H14O4 and molecular weight 258.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-3-phenylmethoxybenzoic acid
Also Known As: 3-Benzyloxy-4-methoxybenzoic acid, 3-(benzyloxy)-4-methoxybenzoic acid, 3-Benzyloxy-p-anisic acid, Benzylisovanillic acid, 4-methoxy-3-phenylmethoxybenzoic acid
| Molecular Formula | C15H14O4 |
|---|---|
| Molecular Weight | 258.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.0892 |
| Heavy Atoms | 19 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 58452-00-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)O)OCC2=CC=CC=C2 |
| InChIKey | YPDXIGBSOBESNI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Benzyloxy-p-anisic acid (CAS 58452-00-9), with molecular formula C15H14O4 and molecular weight 258.09 g/mol. IUPAC: 4-methoxy-3-phenylmethoxybenzoic acid.
Chemical Property Profile of 3-Benzyloxy-p-anisic acid
Property Insights of 3-Benzyloxy-p-anisic acid
The XLogP value of 3.1 indicates that 3-Benzyloxy-p-anisic 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-Benzyloxy-p-anisic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyloxy-p-anisic 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-Benzyloxy-p-anisic acid?
The CAS number of 3-Benzyloxy-p-anisic acid is 58452-00-9.
What is the molecular formula of 3-Benzyloxy-p-anisic acid?
The molecular formula of 3-Benzyloxy-p-anisic acid is C15H14O4.
What is the molecular weight of 3-Benzyloxy-p-anisic acid?
The molecular weight of 3-Benzyloxy-p-anisic acid is 258.09 g/mol.
Where can I buy 3-Benzyloxy-p-anisic acid?
You can request a quote for 3-Benzyloxy-p-anisic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyloxy-p-anisic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyloxy-p-anisic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.