Phenyl acetylsalicylate
TL;DR: Phenyl acetylsalicylate (CAS 134-55-4) is a chemical compound with molecular formula C15H12O4 and molecular weight 256.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 2-acetyloxybenzoate
Also Known As: Phenyl acetylsalicylate, Spiroform, Acetylsalol, Vesipyrin, Phennin
| Molecular Formula | C15H12O4 |
|---|---|
| Molecular Weight | 256.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.07355 |
| Heavy Atoms | 19 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 134-55-4 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)OC2=CC=CC=C2 |
| InChIKey | PSBAIJVSCTZDDB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl acetylsalicylate (CAS 134-55-4), with molecular formula C15H12O4 and molecular weight 256.07 g/mol. IUPAC: phenyl 2-acetyloxybenzoate.
Chemical Property Profile of Phenyl acetylsalicylate
Property Insights of Phenyl acetylsalicylate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl acetylsalicylate. With a topological polar surface area (TPSA) of 52.6 Ų, Phenyl acetylsalicylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl acetylsalicylate 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 Phenyl acetylsalicylate?
The CAS number of Phenyl acetylsalicylate is 134-55-4.
What is the molecular formula of Phenyl acetylsalicylate?
The molecular formula of Phenyl acetylsalicylate is C15H12O4.
What is the molecular weight of Phenyl acetylsalicylate?
The molecular weight of Phenyl acetylsalicylate is 256.07 g/mol.
Where can I buy Phenyl acetylsalicylate?
You can request a quote for Phenyl acetylsalicylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl acetylsalicylate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl acetylsalicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.