Phenyl(pyridin-4-yl)methyl acetate
TL;DR: Phenyl(pyridin-4-yl)methyl acetate (CAS 24929-18-8) is a chemical compound with molecular formula C14H13NO2 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[phenyl(pyridin-4-yl)methyl] acetate
Also Known As: phenyl(pyridin-4-yl)methyl acetate, [phenyl(pyridin-4-yl)methyl] acetate, acetoxy-phenyl-pyridin-4-yl-methane, 4-Pyridinemethanol, a-phenyl-, 4-acetate, Acetic acid alpha-(4-pyridyl)benzyl ester
| Molecular Formula | C14H13NO2 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.09464 |
| Heavy Atoms | 17 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 24929-18-8 |
|---|---|
| SMILES | CC(=O)OC(C1=CC=CC=C1)C2=CC=NC=C2 |
| InChIKey | QRFRQXFDNNTMOU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl(pyridin-4-yl)methyl acetate (CAS 24929-18-8), with molecular formula C14H13NO2 and molecular weight 227.09 g/mol. IUPAC: [phenyl(pyridin-4-yl)methyl] acetate.
Chemical Property Profile of Phenyl(pyridin-4-yl)methyl acetate
Property Insights of Phenyl(pyridin-4-yl)methyl acetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl(pyridin-4-yl)methyl acetate. With a topological polar surface area (TPSA) of 39.2 Ų, Phenyl(pyridin-4-yl)methyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl(pyridin-4-yl)methyl 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 Phenyl(pyridin-4-yl)methyl acetate?
The CAS number of Phenyl(pyridin-4-yl)methyl acetate is 24929-18-8.
What is the molecular formula of Phenyl(pyridin-4-yl)methyl acetate?
The molecular formula of Phenyl(pyridin-4-yl)methyl acetate is C14H13NO2.
What is the molecular weight of Phenyl(pyridin-4-yl)methyl acetate?
The molecular weight of Phenyl(pyridin-4-yl)methyl acetate is 227.09 g/mol.
Where can I buy Phenyl(pyridin-4-yl)methyl acetate?
You can request a quote for Phenyl(pyridin-4-yl)methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl(pyridin-4-yl)methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl(pyridin-4-yl)methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.