3-((2-fluorobenzyl)thio)-2-methyl-1H-indole
TL;DR: 3-((2-fluorobenzyl)thio)-2-methyl-1H-indole (CAS 536702-31-5) is a chemical compound with molecular formula C16H14FNS and molecular weight 271.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-fluorophenyl)methylsulfanyl]-2-methyl-1H-indole
Also Known As: 3-((2-fluorobenzyl)thio)-2-methyl-1H-indole, 3-{[(2-fluorophenyl)methyl]sulfanyl}-2-methyl-1H-indole, 3-[(2-fluorophenyl)methylsulfanyl]-2-methyl-1H-indole, F0575-0066
| Molecular Formula | C16H14FNS |
|---|---|
| Molecular Weight | 271.08 g/mol |
| LogP | 4.90772 |
| Topological Polar Surface Area | 15.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.0831 |
| Heavy Atoms | 19 |
| Complexity | 717.5957 |
Chemical Identifiers
| CAS Number | 536702-31-5 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)SCC3=CC=CC=C3F |
Product Overview
3-((2-fluorobenzyl)thio)-2-methyl-1H-indole (CAS 536702-31-5), with molecular formula C16H14FNS and molecular weight 271.08 g/mol. IUPAC: 3-[(2-fluorophenyl)methylsulfanyl]-2-methyl-1H-indole.
Chemical Property Profile of 3-((2-fluorobenzyl)thio)-2-methyl-1H-indole
Property Insights of 3-((2-fluorobenzyl)thio)-2-methyl-1H-indole
The XLogP value of 4.90772 indicates that 3-((2-fluorobenzyl)thio)-2-methyl-1H-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-((2-fluorobenzyl)thio)-2-methyl-1H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((2-fluorobenzyl)thio)-2-methyl-1H-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-((2-fluorobenzyl)thio)-2-methyl-1H-indole?
The CAS number of 3-((2-fluorobenzyl)thio)-2-methyl-1H-indole is 536702-31-5.
What is the molecular formula of 3-((2-fluorobenzyl)thio)-2-methyl-1H-indole?
The molecular formula of 3-((2-fluorobenzyl)thio)-2-methyl-1H-indole is C16H14FNS.
What is the molecular weight of 3-((2-fluorobenzyl)thio)-2-methyl-1H-indole?
The molecular weight of 3-((2-fluorobenzyl)thio)-2-methyl-1H-indole is 271.08 g/mol.
Where can I buy 3-((2-fluorobenzyl)thio)-2-methyl-1H-indole?
You can request a quote for 3-((2-fluorobenzyl)thio)-2-methyl-1H-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2-fluorobenzyl)thio)-2-methyl-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 3-((2-fluorobenzyl)thio)-2-methyl-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.