4-(三氟乙酰基)苯甲酸
TL;DR: 4-(三氟乙酰基)苯甲酸 (CAS 17417-09-3) is a chemical compound with molecular formula C9H5F3O3 and molecular weight 218.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(三氟乙酰基)苯甲酸
4-(2,2,2-trifluoroacetyl)benzoic acid
Also Known As: 4-(Trifluoroacetyl)benzoic acid, 4-(2,2,2-trifluoroacetyl)benzoic acid, 4- BENZOICACID, 4-trifluoroacetylbenzoic acid, 2-Fluoro-5-nitrobenzonitrile
| Molecular Formula | C9H5F3O3 |
|---|---|
| Molecular Weight | 218.02 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.01907 |
| Heavy Atoms | 15 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 17417-09-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)C(F)(F)F)C(=O)O |
| InChIKey | WLTZCRCZDLLXQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(三氟乙酰基)苯甲酸 (CAS 17417-09-3), with molecular formula C9H5F3O3 and molecular weight 218.02 g/mol. IUPAC: 4-(2,2,2-trifluoroacetyl)benzoic acid.
Chemical Property Profile of 4-(三氟乙酰基)苯甲酸
Property Insights of 4-(三氟乙酰基)苯甲酸
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(三氟乙酰基)苯甲酸. With a topological polar surface area (TPSA) of 54.4 Ų, 4-(三氟乙酰基)苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(三氟乙酰基)苯甲酸 has 1 hydrogen bond donor(s) and 6 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 4-(三氟乙酰基)苯甲酸?
The CAS number of 4-(三氟乙酰基)苯甲酸 is 17417-09-3.
What is the molecular formula of 4-(三氟乙酰基)苯甲酸?
The molecular formula of 4-(三氟乙酰基)苯甲酸 is C9H5F3O3.
What is the molecular weight of 4-(三氟乙酰基)苯甲酸?
The molecular weight of 4-(三氟乙酰基)苯甲酸 is 218.02 g/mol.
Where can I buy 4-(三氟乙酰基)苯甲酸?
You can request a quote for 4-(三氟乙酰基)苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(三氟乙酰基)苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-(三氟乙酰基)苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.