2-(4-Fluorophenyl)sulfanyl-5-hydroxy-naphthalene-1,4-dione
TL;DR: 2-(4-Fluorophenyl)sulfanyl-5-hydroxy-naphthalene-1,4-dione (CAS 856402-15-8) is a chemical compound with molecular formula C16H9FO3S and molecular weight 300.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluorophenyl)sulfanyl-5-hydroxynaphthalene-1,4-dione
Also Known As: 2-((4-fluorophenyl)thio)-5-hydroxynaphthalene-1,4-dione, 2-(4-fluorophenyl)sulfanyl-5-hydroxy-naphthalene-1,4-dione, 2-(4-fluorophenyl)sulfanyl-5-hydroxynaphthalene-1,4-dione, 1,4-naphthalenedione, 2-[(4-fluorophenyl)thio]-5-hydroxy-
| Molecular Formula | C16H9FO3S |
|---|---|
| Molecular Weight | 300.03 g/mol |
| LogP | 3.5865 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.02563 |
| Heavy Atoms | 21 |
| Complexity | 778.60913 |
Chemical Identifiers
| CAS Number | 856402-15-8 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)O)C(=O)C=C(C2=O)SC3=CC=C(C=C3)F |
Product Overview
2-(4-Fluorophenyl)sulfanyl-5-hydroxy-naphthalene-1,4-dione (CAS 856402-15-8), with molecular formula C16H9FO3S and molecular weight 300.03 g/mol. IUPAC: 2-(4-fluorophenyl)sulfanyl-5-hydroxynaphthalene-1,4-dione.
Chemical Property Profile of 2-(4-Fluorophenyl)sulfanyl-5-hydroxy-naphthalene-1,4-dione
Property Insights of 2-(4-Fluorophenyl)sulfanyl-5-hydroxy-naphthalene-1,4-dione
The XLogP value of 3.5865 indicates that 2-(4-Fluorophenyl)sulfanyl-5-hydroxy-naphthalene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, 2-(4-Fluorophenyl)sulfanyl-5-hydroxy-naphthalene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Fluorophenyl)sulfanyl-5-hydroxy-naphthalene-1,4-dione has 1 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 2-(4-Fluorophenyl)sulfanyl-5-hydroxy-naphthalene-1,4-dione?
The CAS number of 2-(4-Fluorophenyl)sulfanyl-5-hydroxy-naphthalene-1,4-dione is 856402-15-8.
What is the molecular formula of 2-(4-Fluorophenyl)sulfanyl-5-hydroxy-naphthalene-1,4-dione?
The molecular formula of 2-(4-Fluorophenyl)sulfanyl-5-hydroxy-naphthalene-1,4-dione is C16H9FO3S.
What is the molecular weight of 2-(4-Fluorophenyl)sulfanyl-5-hydroxy-naphthalene-1,4-dione?
The molecular weight of 2-(4-Fluorophenyl)sulfanyl-5-hydroxy-naphthalene-1,4-dione is 300.03 g/mol.
Where can I buy 2-(4-Fluorophenyl)sulfanyl-5-hydroxy-naphthalene-1,4-dione?
You can request a quote for 2-(4-Fluorophenyl)sulfanyl-5-hydroxy-naphthalene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Fluorophenyl)sulfanyl-5-hydroxy-naphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Fluorophenyl)sulfanyl-5-hydroxy-naphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.