3-(5-Fluoro-3-indolyl)-2-mercapto-(Z)-2-propenoic Acid
TL;DR: 3-(5-Fluoro-3-indolyl)-2-mercapto-(Z)-2-propenoic Acid (CAS 181765-30-0) 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.
(Z)-3-(5-fluoro-1H-indol-3-yl)-2-sulfanylprop-2-enoic acid
Also Known As: pd 151746, (Rac)-PD 151746, EX-A2124, 2634AH, s7424
| Molecular Formula | C11H8FNO2S |
|---|---|
| Molecular Weight | 237.03 g/mol |
| LogP | 2.6623 |
| Topological Polar Surface Area | 53.09 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.02597 |
| Heavy Atoms | 16 |
| Complexity | 588.6821 |
Chemical Identifiers
| CAS Number | 181765-30-0 |
|---|---|
| SMILES | C1=CC2=C(C=C1F)C(=CN2)/C=C(/C(=O)O)\S |
Product Overview
3-(5-Fluoro-3-indolyl)-2-mercapto-(Z)-2-propenoic Acid (CAS 181765-30-0), with molecular formula C11H8FNO2S and molecular weight 237.03 g/mol. IUPAC: (Z)-3-(5-fluoro-1H-indol-3-yl)-2-sulfanylprop-2-enoic acid.
Chemical Property Profile of 3-(5-Fluoro-3-indolyl)-2-mercapto-(Z)-2-propenoic Acid
Property Insights of 3-(5-Fluoro-3-indolyl)-2-mercapto-(Z)-2-propenoic Acid
The XLogP value of 2.6623 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-Fluoro-3-indolyl)-2-mercapto-(Z)-2-propenoic Acid. With a topological polar surface area (TPSA) of 53.09 Ų, 3-(5-Fluoro-3-indolyl)-2-mercapto-(Z)-2-propenoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(5-Fluoro-3-indolyl)-2-mercapto-(Z)-2-propenoic Acid has 3 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-(5-Fluoro-3-indolyl)-2-mercapto-(Z)-2-propenoic Acid?
The CAS number of 3-(5-Fluoro-3-indolyl)-2-mercapto-(Z)-2-propenoic Acid is 181765-30-0.
What is the molecular formula of 3-(5-Fluoro-3-indolyl)-2-mercapto-(Z)-2-propenoic Acid?
The molecular formula of 3-(5-Fluoro-3-indolyl)-2-mercapto-(Z)-2-propenoic Acid is C11H8FNO2S.
What is the molecular weight of 3-(5-Fluoro-3-indolyl)-2-mercapto-(Z)-2-propenoic Acid?
The molecular weight of 3-(5-Fluoro-3-indolyl)-2-mercapto-(Z)-2-propenoic Acid is 237.03 g/mol.
Where can I buy 3-(5-Fluoro-3-indolyl)-2-mercapto-(Z)-2-propenoic Acid?
You can request a quote for 3-(5-Fluoro-3-indolyl)-2-mercapto-(Z)-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-3-indolyl)-2-mercapto-(Z)-2-propenoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Fluoro-3-indolyl)-2-mercapto-(Z)-2-propenoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.