苯甲酸-2-氟乙酯
TL;DR: 苯甲酸-2-氟乙酯 (CAS 614-43-7) is a chemical compound with molecular formula C9H9FO2 and molecular weight 168.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯甲酸-2-氟乙酯
2-fluoroethyl benzoate
Also Known As: 2-Fluoroethyl benzoate, 2-Fluoroethyl=benzoate, Ethanol, 2-fluoro-, benzoate, BENZOIC ACID, 2-FLUOROETHYL ESTER, 4-09-00-00287 (Beilstein Handbook Reference)
| Molecular Formula | C9H9FO2 |
|---|---|
| Molecular Weight | 168.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.05865 |
| Heavy Atoms | 12 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 614-43-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCCF |
| InChIKey | HRGRPAXXFIOCAB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯甲酸-2-氟乙酯 (CAS 614-43-7), with molecular formula C9H9FO2 and molecular weight 168.06 g/mol. IUPAC: 2-fluoroethyl benzoate.
Chemical Property Profile of 苯甲酸-2-氟乙酯
Property Insights of 苯甲酸-2-氟乙酯
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯甲酸-2-氟乙酯. With a topological polar surface area (TPSA) of 26.3 Ų, 苯甲酸-2-氟乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯甲酸-2-氟乙酯 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 苯甲酸-2-氟乙酯?
The CAS number of 苯甲酸-2-氟乙酯 is 614-43-7.
What is the molecular formula of 苯甲酸-2-氟乙酯?
The molecular formula of 苯甲酸-2-氟乙酯 is C9H9FO2.
What is the molecular weight of 苯甲酸-2-氟乙酯?
The molecular weight of 苯甲酸-2-氟乙酯 is 168.06 g/mol.
Where can I buy 苯甲酸-2-氟乙酯?
You can request a quote for 苯甲酸-2-氟乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯甲酸-2-氟乙酯?
Yes, KEHONG BIO provides custom synthesis services for 苯甲酸-2-氟乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.