Benzyl (4-methoxyphenyl)acetate
TL;DR: Benzyl (4-methoxyphenyl)acetate (CAS 74587-15-8) is a chemical compound with molecular formula C16H16O3 and molecular weight 256.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-(4-methoxyphenyl)acetate
Also Known As: benzyl (4-methoxyphenyl)acetate, benzyl 2-(4-methoxyphenyl)acetate, 4-Methoxyphenylacetic acid benzyl ester, (4-Methoxyphenyl)acetic acid benzyl ester, (p-Methoxyphenyl)acetic acid benzyl ester
| Molecular Formula | C16H16O3 |
|---|---|
| Molecular Weight | 256.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 256.10995 |
| Heavy Atoms | 19 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 74587-15-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC(=O)OCC2=CC=CC=C2 |
| InChIKey | MCJLGGZHLZDDGT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl (4-methoxyphenyl)acetate (CAS 74587-15-8), with molecular formula C16H16O3 and molecular weight 256.11 g/mol. IUPAC: benzyl 2-(4-methoxyphenyl)acetate.
Chemical Property Profile of Benzyl (4-methoxyphenyl)acetate
Property Insights of Benzyl (4-methoxyphenyl)acetate
The XLogP value of 3.0 indicates that Benzyl (4-methoxyphenyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Benzyl (4-methoxyphenyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl (4-methoxyphenyl)acetate has 0 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 Benzyl (4-methoxyphenyl)acetate?
The CAS number of Benzyl (4-methoxyphenyl)acetate is 74587-15-8.
What is the molecular formula of Benzyl (4-methoxyphenyl)acetate?
The molecular formula of Benzyl (4-methoxyphenyl)acetate is C16H16O3.
What is the molecular weight of Benzyl (4-methoxyphenyl)acetate?
The molecular weight of Benzyl (4-methoxyphenyl)acetate is 256.11 g/mol.
Where can I buy Benzyl (4-methoxyphenyl)acetate?
You can request a quote for Benzyl (4-methoxyphenyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl (4-methoxyphenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl (4-methoxyphenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.