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3-[3-(Trifluoromethoxy)phenyl]propanoic acid
TL;DR: 3-[3-(Trifluoromethoxy)phenyl]propanoic acid (CAS 168833-77-0) is a chemical compound with molecular formula C10H9F3O3 and molecular weight 234.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(trifluoromethoxy)phenyl]propanoic acid
Also Known As: 3-(3-(Trifluoromethoxy)phenyl)propanoic acid, 3-(TRIFLUOROMETHOXY)HYDROCINNAMIC ACID, 3-[3-(trifluoromethoxy)phenyl]propanoic Acid, Intermediates-ZCF02259, 3-trifluoromethoxypropionic acid
| Molecular Formula | C10H9F3O3 |
|---|---|
| Molecular Weight | 234.05 g/mol |
| LogP | 2.6024 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.05038 |
| Heavy Atoms | 16 |
| Complexity | 373.81717 |
Chemical Identifiers
| CAS Number | 168833-77-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC(F)(F)F)CCC(=O)O |
Product Overview
3-[3-(Trifluoromethoxy)phenyl]propanoic acid (CAS 168833-77-0), with molecular formula C10H9F3O3 and molecular weight 234.05 g/mol. IUPAC: 3-[3-(trifluoromethoxy)phenyl]propanoic acid.
Chemical Property Profile of 3-[3-(Trifluoromethoxy)phenyl]propanoic acid
Property Insights of 3-[3-(Trifluoromethoxy)phenyl]propanoic acid
The XLogP value of 2.6024 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[3-(Trifluoromethoxy)phenyl]propanoic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 3-[3-(Trifluoromethoxy)phenyl]propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[3-(Trifluoromethoxy)phenyl]propanoic acid has 1 hydrogen bond donor(s) and 2 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-[3-(Trifluoromethoxy)phenyl]propanoic acid?
The CAS number of 3-[3-(Trifluoromethoxy)phenyl]propanoic acid is 168833-77-0.
What is the molecular formula of 3-[3-(Trifluoromethoxy)phenyl]propanoic acid?
The molecular formula of 3-[3-(Trifluoromethoxy)phenyl]propanoic acid is C10H9F3O3.
What is the molecular weight of 3-[3-(Trifluoromethoxy)phenyl]propanoic acid?
The molecular weight of 3-[3-(Trifluoromethoxy)phenyl]propanoic acid is 234.05 g/mol.
Where can I buy 3-[3-(Trifluoromethoxy)phenyl]propanoic acid?
You can request a quote for 3-[3-(Trifluoromethoxy)phenyl]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-(Trifluoromethoxy)phenyl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(Trifluoromethoxy)phenyl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.