2-(3-(Benzyloxy)-4-methoxyphenyl)acetic acid
TL;DR: 2-(3-(Benzyloxy)-4-methoxyphenyl)acetic acid (CAS 5487-33-2) is a chemical compound with molecular formula C16H16O4 and molecular weight 272.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxy-3-phenylmethoxyphenyl)acetic acid
Also Known As: 2-(3-(BENZYLOXY)-4-METHOXYPHENYL)ACETIC ACID, 2-[3-(benzyloxy)-4-methoxyphenyl]acetic acid, 2-(4-methoxy-3-phenylmethoxyphenyl)acetic acid, [3-(benzyloxy)-4-methoxyphenyl]acetic acid, BEN191
| Molecular Formula | C16H16O4 |
|---|---|
| Molecular Weight | 272.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 272.10486 |
| Heavy Atoms | 20 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 5487-33-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC(=O)O)OCC2=CC=CC=C2 |
| InChIKey | WXWWJUKMWNYILA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3-(Benzyloxy)-4-methoxyphenyl)acetic acid (CAS 5487-33-2), with molecular formula C16H16O4 and molecular weight 272.10 g/mol. IUPAC: 2-(4-methoxy-3-phenylmethoxyphenyl)acetic acid.
Chemical Property Profile of 2-(3-(Benzyloxy)-4-methoxyphenyl)acetic acid
Property Insights of 2-(3-(Benzyloxy)-4-methoxyphenyl)acetic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-(Benzyloxy)-4-methoxyphenyl)acetic acid. With a topological polar surface area (TPSA) of 55.8 Ų, 2-(3-(Benzyloxy)-4-methoxyphenyl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-(Benzyloxy)-4-methoxyphenyl)acetic 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 2-(3-(Benzyloxy)-4-methoxyphenyl)acetic acid?
The CAS number of 2-(3-(Benzyloxy)-4-methoxyphenyl)acetic acid is 5487-33-2.
What is the molecular formula of 2-(3-(Benzyloxy)-4-methoxyphenyl)acetic acid?
The molecular formula of 2-(3-(Benzyloxy)-4-methoxyphenyl)acetic acid is C16H16O4.
What is the molecular weight of 2-(3-(Benzyloxy)-4-methoxyphenyl)acetic acid?
The molecular weight of 2-(3-(Benzyloxy)-4-methoxyphenyl)acetic acid is 272.10 g/mol.
Where can I buy 2-(3-(Benzyloxy)-4-methoxyphenyl)acetic acid?
You can request a quote for 2-(3-(Benzyloxy)-4-methoxyphenyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-(Benzyloxy)-4-methoxyphenyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-(Benzyloxy)-4-methoxyphenyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.