4,4,4-Trifluoro-3-(1H-indol-3-yl)butanoic acid
TL;DR: 4,4,4-Trifluoro-3-(1H-indol-3-yl)butanoic acid (CAS 153233-36-4) is a chemical compound with molecular formula C12H10F3NO2 and molecular weight 257.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trifluoro-3-(1H-indol-3-yl)butanoic acid
Also Known As: 4,4,4-Trifluoro-3-(1H-indol-3-yl)butanoic acid, 4,4,4-Trifluoro-3-(3-indolyl)butyric acid, 1H-Indole-3-propanoicacid, b-(trifluoromethyl)-, 2-Trifluoromethyl-3-[3-indolyl]propionic acid, 4,4,4-Trifluoro-3-(3-indolyl)butyricacid
| Molecular Formula | C12H10F3NO2 |
|---|---|
| Molecular Weight | 257.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.06638 |
| Heavy Atoms | 18 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 153233-36-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)C(CC(=O)O)C(F)(F)F |
| InChIKey | RJIJUJRAERDEMV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4,4-Trifluoro-3-(1H-indol-3-yl)butanoic acid (CAS 153233-36-4), with molecular formula C12H10F3NO2 and molecular weight 257.07 g/mol. IUPAC: 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoic acid.
Chemical Property Profile of 4,4,4-Trifluoro-3-(1H-indol-3-yl)butanoic acid
Property Insights of 4,4,4-Trifluoro-3-(1H-indol-3-yl)butanoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4,4-Trifluoro-3-(1H-indol-3-yl)butanoic acid. With a topological polar surface area (TPSA) of 53.1 Ų, 4,4,4-Trifluoro-3-(1H-indol-3-yl)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,4-Trifluoro-3-(1H-indol-3-yl)butanoic acid has 2 hydrogen bond donor(s) and 5 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-Trifluoro-3-(1H-indol-3-yl)butanoic acid?
The CAS number of 4,4,4-Trifluoro-3-(1H-indol-3-yl)butanoic acid is 153233-36-4.
What is the molecular formula of 4,4,4-Trifluoro-3-(1H-indol-3-yl)butanoic acid?
The molecular formula of 4,4,4-Trifluoro-3-(1H-indol-3-yl)butanoic acid is C12H10F3NO2.
What is the molecular weight of 4,4,4-Trifluoro-3-(1H-indol-3-yl)butanoic acid?
The molecular weight of 4,4,4-Trifluoro-3-(1H-indol-3-yl)butanoic acid is 257.07 g/mol.
Where can I buy 4,4,4-Trifluoro-3-(1H-indol-3-yl)butanoic acid?
You can request a quote for 4,4,4-Trifluoro-3-(1H-indol-3-yl)butanoic acid 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-Trifluoro-3-(1H-indol-3-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,4,4-Trifluoro-3-(1H-indol-3-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.