4-(三氟甲基)扁桃酸
TL;DR: 4-(三氟甲基)扁桃酸 (CAS 5177-21-9) is a chemical compound with molecular formula C9H7F3O3 and molecular weight 220.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(三氟甲基)扁桃酸
2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetic acid
Also Known As: 4-(Trifluoromethyl)mandelic acid, 2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetic acid, 4-Trifluoromethylmandelic acid, p-TFM cpd, 2-Hydroxy-2-(4-(trifluoromethyl)phenyl)acetic acid
| Molecular Formula | C9H7F3O3 |
|---|---|
| Molecular Weight | 220.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.03473 |
| Heavy Atoms | 15 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 5177-21-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(C(=O)O)O)C(F)(F)F |
| InChIKey | SDGXYUQKJPFLDG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(三氟甲基)扁桃酸 (CAS 5177-21-9), with molecular formula C9H7F3O3 and molecular weight 220.03 g/mol. IUPAC: 2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetic acid.
Chemical Property Profile of 4-(三氟甲基)扁桃酸
Property Insights of 4-(三氟甲基)扁桃酸
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(三氟甲基)扁桃酸. With a topological polar surface area (TPSA) of 57.5 Ų, 4-(三氟甲基)扁桃酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(三氟甲基)扁桃酸 has 2 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-(三氟甲基)扁桃酸?
The CAS number of 4-(三氟甲基)扁桃酸 is 5177-21-9.
What is the molecular formula of 4-(三氟甲基)扁桃酸?
The molecular formula of 4-(三氟甲基)扁桃酸 is C9H7F3O3.
What is the molecular weight of 4-(三氟甲基)扁桃酸?
The molecular weight of 4-(三氟甲基)扁桃酸 is 220.03 g/mol.
Where can I buy 4-(三氟甲基)扁桃酸?
You can request a quote for 4-(三氟甲基)扁桃酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(三氟甲基)扁桃酸?
Yes, KEHONG BIO provides custom synthesis services for 4-(三氟甲基)扁桃酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.