2-Acetylphenyl p-anisate
TL;DR: 2-Acetylphenyl p-anisate (CAS 5445-86-3) is a chemical compound with molecular formula C16H14O4 and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetylphenyl) 4-methoxybenzoate
Also Known As: 2-acetylphenyl 4-methoxybenzoate, 2-Acetylphenyl p-anisate, 2-acetylphenylp-anisate, 2-anisoyloxyacetophenone, 2-Acetyl-1-phenyl 4-methoxybenzoate
| Molecular Formula | C16H14O4 |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.0892 |
| Heavy Atoms | 20 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 5445-86-3 |
|---|---|
| SMILES | CC(=O)C1=CC=CC=C1OC(=O)C2=CC=C(C=C2)OC |
| InChIKey | KPHKQJNWBUZGCV-UHFFFAOYSA-N |
Product Overview
2-Acetylphenyl p-anisate (CAS 5445-86-3), with molecular formula C16H14O4 and molecular weight 270.09 g/mol. IUPAC: (2-acetylphenyl) 4-methoxybenzoate.
Chemical Property Profile of 2-Acetylphenyl p-anisate
Property Insights of 2-Acetylphenyl p-anisate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetylphenyl p-anisate. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Acetylphenyl p-anisate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetylphenyl p-anisate has 0 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-Acetylphenyl p-anisate?
The CAS number of 2-Acetylphenyl p-anisate is 5445-86-3.
What is the molecular formula of 2-Acetylphenyl p-anisate?
The molecular formula of 2-Acetylphenyl p-anisate is C16H14O4.
What is the molecular weight of 2-Acetylphenyl p-anisate?
The molecular weight of 2-Acetylphenyl p-anisate is 270.09 g/mol.
Where can I buy 2-Acetylphenyl p-anisate?
You can request a quote for 2-Acetylphenyl p-anisate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetylphenyl p-anisate?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetylphenyl p-anisate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.