3-(5-氟-1H-吲哚-3-基)-2-巯基丙烯酸
TL;DR: 3-(5-氟-1H-吲哚-3-基)-2-巯基丙烯酸 (CAS 179461-52-0) is a chemical compound with molecular formula C11H8FNO2S and molecular weight 237.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-氟-1H-吲哚-3-基)-2-巯基丙烯酸
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
| Molecular Formula | C11H8FNO2S |
|---|---|
| Molecular Weight | 237.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 54.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.02597 |
| Heavy Atoms | 16 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 179461-52-0 |
|---|---|
| SMILES | C1=CC2=C(C=C1F)C(=CN2)C=C(C(=O)O)S |
| InChIKey | HWMQHECFXSVZGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(5-氟-1H-吲哚-3-基)-2-巯基丙烯酸 (CAS 179461-52-0), with molecular formula C11H8FNO2S and molecular weight 237.03 g/mol. IUPAC: 3-(5-fluoro-1H-indol-3-yl)-2-sulfanylprop-2-enoic acid.
Chemical Property Profile of 3-(5-氟-1H-吲哚-3-基)-2-巯基丙烯酸
Property Insights of 3-(5-氟-1H-吲哚-3-基)-2-巯基丙烯酸
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-氟-1H-吲哚-3-基)-2-巯基丙烯酸. With a topological polar surface area (TPSA) of 54.1 Ų, 3-(5-氟-1H-吲哚-3-基)-2-巯基丙烯酸 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
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 237.03 g/mol.
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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-fluoro-1H-indol-3-yl)-2-mercapto-2-propenoic acid?
Yes, KEHONG BIO 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.