3-(4-Fluorobenzylthio)indole
TL;DR: 3-(4-Fluorobenzylthio)indole (CAS 450351-46-9) is a chemical compound with molecular formula C15H12FNS and molecular weight 257.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-fluorophenyl)methylsulfanyl]-1H-indole
Also Known As: 3-(4-fluorobenzylthio)indole, IFLab1_002131, 3-[(4-fluorophenyl)methylsulfanyl]-1H-indole
| Molecular Formula | C15H12FNS |
|---|---|
| Molecular Weight | 257.07 g/mol |
| LogP | 4.5993 |
| Topological Polar Surface Area | 15.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.06744 |
| Heavy Atoms | 18 |
| Complexity | 657.5701 |
Chemical Identifiers
| CAS Number | 450351-46-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)SCC3=CC=C(C=C3)F |
Product Overview
3-(4-Fluorobenzylthio)indole (CAS 450351-46-9), with molecular formula C15H12FNS and molecular weight 257.07 g/mol. IUPAC: 3-[(4-fluorophenyl)methylsulfanyl]-1H-indole.
Chemical Property Profile of 3-(4-Fluorobenzylthio)indole
Property Insights of 3-(4-Fluorobenzylthio)indole
The XLogP value of 4.5993 indicates that 3-(4-Fluorobenzylthio)indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.79 Ų, 3-(4-Fluorobenzylthio)indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Fluorobenzylthio)indole has 1 hydrogen bond donor(s) and 1 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-(4-Fluorobenzylthio)indole?
The CAS number of 3-(4-Fluorobenzylthio)indole is 450351-46-9.
What is the molecular formula of 3-(4-Fluorobenzylthio)indole?
The molecular formula of 3-(4-Fluorobenzylthio)indole is C15H12FNS.
What is the molecular weight of 3-(4-Fluorobenzylthio)indole?
The molecular weight of 3-(4-Fluorobenzylthio)indole is 257.07 g/mol.
Where can I buy 3-(4-Fluorobenzylthio)indole?
You can request a quote for 3-(4-Fluorobenzylthio)indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Fluorobenzylthio)indole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Fluorobenzylthio)indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.