氟乙酰水杨酸
TL;DR: 氟乙酰水杨酸 (CAS 364-71-6) is a chemical compound with molecular formula C9H7FO4 and molecular weight 198.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氟乙酰水杨酸
2-(2-fluoroacetyl)oxybenzoic acid
Also Known As: Fluoroaspirin, 2-(2-fluoroacetoxy)benzoic acid, O-(Fluoroacetyl)salicylic acid, Salicylic acid, fluoroacetate, 2-(2-fluoroacetyl)oxybenzoic acid
| Molecular Formula | C9H7FO4 |
|---|---|
| Molecular Weight | 198.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.03284 |
| Heavy Atoms | 14 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 364-71-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)OC(=O)CF |
| InChIKey | ISJRKJAXVBVDDK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氟乙酰水杨酸 (CAS 364-71-6), with molecular formula C9H7FO4 and molecular weight 198.03 g/mol. IUPAC: 2-(2-fluoroacetyl)oxybenzoic acid.
Chemical Property Profile of 氟乙酰水杨酸
Property Insights of 氟乙酰水杨酸
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氟乙酰水杨酸. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 氟乙酰水杨酸. Following Lipinski's Rule of Five, 氟乙酰水杨酸 has 1 hydrogen bond donor(s) and 5 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 氟乙酰水杨酸?
The CAS number of 氟乙酰水杨酸 is 364-71-6.
What is the molecular formula of 氟乙酰水杨酸?
The molecular formula of 氟乙酰水杨酸 is C9H7FO4.
What is the molecular weight of 氟乙酰水杨酸?
The molecular weight of 氟乙酰水杨酸 is 198.03 g/mol.
Where can I buy 氟乙酰水杨酸?
You can request a quote for 氟乙酰水杨酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氟乙酰水杨酸?
Yes, KEHONG BIO provides custom synthesis services for 氟乙酰水杨酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.