4,4,4-三氟-3-(三氟甲基)巴豆酸
TL;DR: 4,4,4-三氟-3-(三氟甲基)巴豆酸 (CAS 1763-28-6) is a chemical compound with molecular formula C5H2F6O2 and molecular weight 208.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-三氟-3-(三氟甲基)巴豆酸
4,4,4-trifluoro-3-(trifluoromethyl)but-2-enoic acid
Also Known As: 4,4,4-Trifluoro-3-(trifluoromethyl)crotonic acid, 4,4,4-trifluoro-3-(trifluoromethyl)but-2-enoic acid, 3,3-Bis(trifluoromethyl)-2-propenoic acid, 2-Butenoic acid, 4,4,4-trifluoro-3-(trifluoromethyl)-, 4,4,4-trifluoro-3-(trifluoromethyl)-2-butenoic acid
| Molecular Formula | C5H2F6O2 |
|---|---|
| Molecular Weight | 208.00 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.9959 |
| Heavy Atoms | 13 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 1763-28-6 |
|---|---|
| SMILES | C(=C(C(F)(F)F)C(F)(F)F)C(=O)O |
| InChIKey | ZSBJCNVMTCMOBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4,4-三氟-3-(三氟甲基)巴豆酸 (CAS 1763-28-6), with molecular formula C5H2F6O2 and molecular weight 208.00 g/mol. IUPAC: 4,4,4-trifluoro-3-(trifluoromethyl)but-2-enoic acid.
Chemical Property Profile of 4,4,4-三氟-3-(三氟甲基)巴豆酸
Property Insights of 4,4,4-三氟-3-(三氟甲基)巴豆酸
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4,4-三氟-3-(三氟甲基)巴豆酸. With a topological polar surface area (TPSA) of 37.3 Ų, 4,4,4-三氟-3-(三氟甲基)巴豆酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,4-三氟-3-(三氟甲基)巴豆酸 has 1 hydrogen bond donor(s) and 8 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 4,4,4-三氟-3-(三氟甲基)巴豆酸?
The CAS number of 4,4,4-三氟-3-(三氟甲基)巴豆酸 is 1763-28-6.
What is the molecular formula of 4,4,4-三氟-3-(三氟甲基)巴豆酸?
The molecular formula of 4,4,4-三氟-3-(三氟甲基)巴豆酸 is C5H2F6O2.
What is the molecular weight of 4,4,4-三氟-3-(三氟甲基)巴豆酸?
The molecular weight of 4,4,4-三氟-3-(三氟甲基)巴豆酸 is 208.00 g/mol.
Where can I buy 4,4,4-三氟-3-(三氟甲基)巴豆酸?
You can request a quote for 4,4,4-三氟-3-(三氟甲基)巴豆酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4,4-三氟-3-(三氟甲基)巴豆酸?
Yes, KEHONG BIO provides custom synthesis services for 4,4,4-三氟-3-(三氟甲基)巴豆酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.