Phenyl 4-methoxybenzoate
TL;DR: Phenyl 4-methoxybenzoate (CAS 4181-97-9) is a chemical compound with molecular formula C14H12O3 and molecular weight 228.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 4-methoxybenzoate
Also Known As: Phenyl 4-methoxybenzoate, Anisalol, phenyl p-anisate, 4-Methoxy-benzoic acid phenyl ester, Phenyl4-Methoxybenzoate
| Molecular Formula | C14H12O3 |
|---|---|
| Molecular Weight | 228.08 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.07864 |
| Heavy Atoms | 17 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 4181-97-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2 |
| InChIKey | BNZYBNYNPXKWCM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl 4-methoxybenzoate (CAS 4181-97-9), with molecular formula C14H12O3 and molecular weight 228.08 g/mol. IUPAC: phenyl 4-methoxybenzoate.
Chemical Property Profile of Phenyl 4-methoxybenzoate
Property Insights of Phenyl 4-methoxybenzoate
The XLogP value of 3.6 indicates that Phenyl 4-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Phenyl 4-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 4-methoxybenzoate 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 Phenyl 4-methoxybenzoate?
The CAS number of Phenyl 4-methoxybenzoate is 4181-97-9.
What is the molecular formula of Phenyl 4-methoxybenzoate?
The molecular formula of Phenyl 4-methoxybenzoate is C14H12O3.
What is the molecular weight of Phenyl 4-methoxybenzoate?
The molecular weight of Phenyl 4-methoxybenzoate is 228.08 g/mol.
Where can I buy Phenyl 4-methoxybenzoate?
You can request a quote for Phenyl 4-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.