Methyl 4-Benzyloxy-3-Chlorophenylacetate
TL;DR: Methyl 4-Benzyloxy-3-Chlorophenylacetate (CAS 63007-66-9) is a chemical compound with molecular formula C16H15ClO3 and molecular weight 290.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate
Also Known As: Benzofenac methyl ester, Methyl 4-Benzyloxy-3-Chlorophenylacetate, Methyl [4-(benzyloxy)-3-chlorophenyl]acetate #, methyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate
| Molecular Formula | C16H15ClO3 |
|---|---|
| Molecular Weight | 290.07 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 290.07098 |
| Heavy Atoms | 20 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 63007-66-9 |
|---|---|
| SMILES | COC(=O)CC1=CC(=C(C=C1)OCC2=CC=CC=C2)Cl |
| InChIKey | MUADFZXQAYZKPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-Benzyloxy-3-Chlorophenylacetate (CAS 63007-66-9), with molecular formula C16H15ClO3 and molecular weight 290.07 g/mol. IUPAC: methyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate.
Chemical Property Profile of Methyl 4-Benzyloxy-3-Chlorophenylacetate
Property Insights of Methyl 4-Benzyloxy-3-Chlorophenylacetate
The XLogP value of 3.8 indicates that Methyl 4-Benzyloxy-3-Chlorophenylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Methyl 4-Benzyloxy-3-Chlorophenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-Benzyloxy-3-Chlorophenylacetate 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 Methyl 4-Benzyloxy-3-Chlorophenylacetate?
The CAS number of Methyl 4-Benzyloxy-3-Chlorophenylacetate is 63007-66-9.
What is the molecular formula of Methyl 4-Benzyloxy-3-Chlorophenylacetate?
The molecular formula of Methyl 4-Benzyloxy-3-Chlorophenylacetate is C16H15ClO3.
What is the molecular weight of Methyl 4-Benzyloxy-3-Chlorophenylacetate?
The molecular weight of Methyl 4-Benzyloxy-3-Chlorophenylacetate is 290.07 g/mol.
Where can I buy Methyl 4-Benzyloxy-3-Chlorophenylacetate?
You can request a quote for Methyl 4-Benzyloxy-3-Chlorophenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-Benzyloxy-3-Chlorophenylacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-Benzyloxy-3-Chlorophenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.