3,5-Bis(trifluoromethyl)hydrocinnamic acid
TL;DR: 3,5-Bis(trifluoromethyl)hydrocinnamic acid (CAS 181772-16-7) is a chemical compound with molecular formula C11H8F6O2 and molecular weight 286.04285 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3,5-bis(trifluoromethyl)phenyl]propanoic acid
Also Known As: 3,5-Bis(trifluoromethyl)hydrocinnamic acid, fludiazepam, 3-[3,5-bis(trifluoromethyl)phenyl]propanoic Acid, 3-(3,5-bis(trifluoromethyl)phenyl)propanoic acid, Benzenepropanoic acid, 3,5-bis(trifluoromethyl)-
Technical Specifications
| Molecular Formula | C11H8F6O2 |
| Molecular Weight | 286.04285 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.04285 Da |
| Heavy Atoms | 19 |
| Complexity | 300.0 |
| SMILES | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CCC(=O)O |
| InChIKey | LISLXJGPJUAEHU-UHFFFAOYSA-N |
Product Description
Applications: 3,5-Bis(trifluoromethyl)hydrocinnamic acid is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A fine chemical supplied by CoreyChem, 3,5-Bis(trifluoromethyl)hydrocinnamic acid (CAS 181772-16-7) has the molecular formula C11H8F6O2 and a molecular weight of 286.04 g/mol. Synonyms include 3,5-Bis(trifluoromethyl)hydrocinnamic acid and fludiazepam.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3,5-Bis(trifluoromethyl)hydrocinnamic acid
Property Insights of 3,5-Bis(trifluoromethyl)hydrocinnamic acid
The XLogP value of 3.4 indicates that 3,5-Bis(trifluoromethyl)hydrocinnamic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3,5-Bis(trifluoromethyl)hydrocinnamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis(trifluoromethyl)hydrocinnamic acid 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
What is the CAS number of 3,5-Bis(trifluoromethyl)hydrocinnamic acid?
The CAS number of 3,5-Bis(trifluoromethyl)hydrocinnamic acid is 181772-16-7.
What is the molecular formula of 3,5-Bis(trifluoromethyl)hydrocinnamic acid?
The molecular formula of 3,5-Bis(trifluoromethyl)hydrocinnamic acid is C11H8F6O2.
What is the molecular weight of 3,5-Bis(trifluoromethyl)hydrocinnamic acid?
The molecular weight of 3,5-Bis(trifluoromethyl)hydrocinnamic acid is 286.04285 g/mol.
What are the applications of 3,5-Bis(trifluoromethyl)hydrocinnamic acid?
3,5-Bis(trifluoromethyl)hydrocinnamic acid is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation...
Where can I buy 3,5-Bis(trifluoromethyl)hydrocinnamic acid?
You can request a quote for 3,5-Bis(trifluoromethyl)hydrocinnamic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Bis(trifluoromethyl)hydrocinnamic acid?
Yes, CoreyChem provides custom synthesis services for 3,5-Bis(trifluoromethyl)hydrocinnamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.