3-羟基-2H,2H-全氟-3-甲基丁酸
TL;DR: 3-羟基-2H,2H-全氟-3-甲基丁酸 (CAS 1547-36-0) is a chemical compound with molecular formula C5H4F6O3 and molecular weight 226.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-羟基-2H,2H-全氟-3-甲基丁酸
4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid
Also Known As: 4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid, 3,3-Bis(trifluoromethyl)-3-hydroxypropionic acid, 4-Acetoxycinnamic acid, 4846AD, 4,4,4-TRIFLUORO-3-HYDROXY-3-(TRIFLUOROMETHYL)BUTYRIC ACID
| Molecular Formula | C5H4F6O3 |
|---|---|
| Molecular Weight | 226.01 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.00647 |
| Heavy Atoms | 14 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 1547-36-0 |
|---|---|
| SMILES | C(C(=O)O)C(C(F)(F)F)(C(F)(F)F)O |
| InChIKey | NOHJBOWARMTILE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-羟基-2H,2H-全氟-3-甲基丁酸 (CAS 1547-36-0), with molecular formula C5H4F6O3 and molecular weight 226.01 g/mol. IUPAC: 4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid.
Chemical Property Profile of 3-羟基-2H,2H-全氟-3-甲基丁酸
Property Insights of 3-羟基-2H,2H-全氟-3-甲基丁酸
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-羟基-2H,2H-全氟-3-甲基丁酸. With a topological polar surface area (TPSA) of 57.5 Ų, 3-羟基-2H,2H-全氟-3-甲基丁酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-羟基-2H,2H-全氟-3-甲基丁酸 has 2 hydrogen bond donor(s) and 9 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 3-羟基-2H,2H-全氟-3-甲基丁酸?
The CAS number of 3-羟基-2H,2H-全氟-3-甲基丁酸 is 1547-36-0.
What is the molecular formula of 3-羟基-2H,2H-全氟-3-甲基丁酸?
The molecular formula of 3-羟基-2H,2H-全氟-3-甲基丁酸 is C5H4F6O3.
What is the molecular weight of 3-羟基-2H,2H-全氟-3-甲基丁酸?
The molecular weight of 3-羟基-2H,2H-全氟-3-甲基丁酸 is 226.01 g/mol.
Where can I buy 3-羟基-2H,2H-全氟-3-甲基丁酸?
You can request a quote for 3-羟基-2H,2H-全氟-3-甲基丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-羟基-2H,2H-全氟-3-甲基丁酸?
Yes, KEHONG BIO provides custom synthesis services for 3-羟基-2H,2H-全氟-3-甲基丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.