3-(5-fluoro-1H-indol-3-yl)-2-mercapto-2-propenoic acid
TL;DR: 3-(5-fluoro-1H-indol-3-yl)-2-mercapto-2-propenoic acid (CAS 179461-52-0) is a chemical compound with molecular formula C11H8FNO2S and molecular weight 237.02597 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(5-fluoro-1H-indol-3-yl)-2-sulfanylprop-2-enoic acid
Also Known As: pd 151746, (Z)-3-(5-fluoro-1H-indol-3-yl)-2-sulfanylprop-2-enoic acid, 3-(5-fluoro-1H-indol-3-yl)-2-sulfanylprop-2-enoic acid, 3-(5-fluoro-1H-indol-3-yl)-2-mercapto-2-propenoic acid, 3-(5-Fluoro-3-indolyl)-2-mercapto-(Z)-2-propenoic Acid
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H8FNO2S |
| Molecular Weight | 237.02597 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 54.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.02597 Da |
| Heavy Atoms | 16 |
| Complexity | 321.0 |
| SMILES | C1=CC2=C(C=C1F)C(=CN2)C=C(C(=O)O)S |
| InChIKey | HWMQHECFXSVZGN-UHFFFAOYSA-N |
Product Description
Applications: 3-(5-fluoro-1H-indol-3-yl)-2-mercapto-2-propenoic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-(5-fluoro-1H-indol-3-yl)-2-mercapto-2-propenoic acid (CAS 179461-52-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
3-(5-fluoro-1H-indol-3-yl)-2-mercapto-2-propenoic acid (CAS 179461-52-0) is a heterocyclic building block with the molecular formula C11H8FNO2S and a molecular weight of 237.03 g/mol. It is also known as pd 151746 and IN1169.
Custom synthesis and full analytical documentation (COA/MSDS) 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-fluoro-1H-indol-3-yl)-2-mercapto-2-propenoic acid
Property Insights of 3-(5-fluoro-1H-indol-3-yl)-2-mercapto-2-propenoic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-fluoro-1H-indol-3-yl)-2-mercapto-2-propenoic acid. With a topological polar surface area (TPSA) of 54.1 Ų, 3-(5-fluoro-1H-indol-3-yl)-2-mercapto-2-propenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(5-fluoro-1H-indol-3-yl)-2-mercapto-2-propenoic acid has 3 hydrogen bond donor(s) and 4 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-fluoro-1H-indol-3-yl)-2-mercapto-2-propenoic acid?
The CAS number of 3-(5-fluoro-1H-indol-3-yl)-2-mercapto-2-propenoic acid is 179461-52-0.
What is the molecular formula of 3-(5-fluoro-1H-indol-3-yl)-2-mercapto-2-propenoic acid?
The molecular formula of 3-(5-fluoro-1H-indol-3-yl)-2-mercapto-2-propenoic acid is C11H8FNO2S.
What is the molecular weight of 3-(5-fluoro-1H-indol-3-yl)-2-mercapto-2-propenoic acid?
The molecular weight of 3-(5-fluoro-1H-indol-3-yl)-2-mercapto-2-propenoic acid is 237.02597 g/mol.
What are the applications of 3-(5-fluoro-1H-indol-3-yl)-2-mercapto-2-propenoic acid?
3-(5-fluoro-1H-indol-3-yl)-2-mercapto-2-propenoic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 3-(5-fluoro-1H-indol-3-yl)-2-mercapto-2-propenoic acid?
You can request a quote for 3-(5-fluoro-1H-indol-3-yl)-2-mercapto-2-propenoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(5-fluoro-1H-indol-3-yl)-2-mercapto-2-propenoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(5-fluoro-1H-indol-3-yl)-2-mercapto-2-propenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.