3-(4-Fluorobenzylsulfonyl)indole
TL;DR: 3-(4-Fluorobenzylsulfonyl)indole (CAS 686743-33-9) is a chemical compound with molecular formula C15H12FNO2S and molecular weight 289.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-fluorophenyl)methylsulfonyl]-1H-indole
Also Known As: 3-(4-fluorobenzylsulfonyl)indole, 3-[(4-fluorophenyl)methylsulfonyl]-1H-indole
| Molecular Formula | C15H12FNO2S |
|---|---|
| Molecular Weight | 289.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 58.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.05728 |
| Heavy Atoms | 20 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 686743-33-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)S(=O)(=O)CC3=CC=C(C=C3)F |
| InChIKey | SRNYTHNOXOMWQJ-UHFFFAOYSA-N |
Product Overview
3-(4-Fluorobenzylsulfonyl)indole (CAS 686743-33-9), with molecular formula C15H12FNO2S and molecular weight 289.06 g/mol. IUPAC: 3-[(4-fluorophenyl)methylsulfonyl]-1H-indole.
Chemical Property Profile of 3-(4-Fluorobenzylsulfonyl)indole
Property Insights of 3-(4-Fluorobenzylsulfonyl)indole
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Fluorobenzylsulfonyl)indole. With a topological polar surface area (TPSA) of 58.3 Ų, 3-(4-Fluorobenzylsulfonyl)indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Fluorobenzylsulfonyl)indole has 1 hydrogen bond donor(s) and 3 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-Fluorobenzylsulfonyl)indole?
The CAS number of 3-(4-Fluorobenzylsulfonyl)indole is 686743-33-9.
What is the molecular formula of 3-(4-Fluorobenzylsulfonyl)indole?
The molecular formula of 3-(4-Fluorobenzylsulfonyl)indole is C15H12FNO2S.
What is the molecular weight of 3-(4-Fluorobenzylsulfonyl)indole?
The molecular weight of 3-(4-Fluorobenzylsulfonyl)indole is 289.06 g/mol.
Where can I buy 3-(4-Fluorobenzylsulfonyl)indole?
You can request a quote for 3-(4-Fluorobenzylsulfonyl)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-Fluorobenzylsulfonyl)indole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Fluorobenzylsulfonyl)indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.