5-Methoxy-2-(p-tolylsulfanyl)naphthalene-1,4-dione
TL;DR: 5-Methoxy-2-(p-tolylsulfanyl)naphthalene-1,4-dione (CAS 856402-16-9) is a chemical compound with molecular formula C18H14O3S and molecular weight 310.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-2-(4-methylphenyl)sulfanylnaphthalene-1,4-dione
Also Known As: 5-methoxy-2-(p-tolylthio)naphthalene-1,4-dione, 5-methoxy-2-(p-tolylsulfanyl)naphthalene-1,4-dione, 5-methoxy-2-(4-methylphenyl)sulfanylnaphthalene-1,4-dione, 1,4-naphthalenedione, 5-methoxy-2-[(4-methylphenyl)thio]-
| Molecular Formula | C18H14O3S |
|---|---|
| Molecular Weight | 310.07 g/mol |
| LogP | 4.05882 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.06638 |
| Heavy Atoms | 22 |
| Complexity | 788.4796 |
Chemical Identifiers
| CAS Number | 856402-16-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=CC(=O)C3=C(C2=O)C=CC=C3OC |
Product Overview
5-Methoxy-2-(p-tolylsulfanyl)naphthalene-1,4-dione (CAS 856402-16-9), with molecular formula C18H14O3S and molecular weight 310.07 g/mol. IUPAC: 5-methoxy-2-(4-methylphenyl)sulfanylnaphthalene-1,4-dione.
Chemical Property Profile of 5-Methoxy-2-(p-tolylsulfanyl)naphthalene-1,4-dione
Property Insights of 5-Methoxy-2-(p-tolylsulfanyl)naphthalene-1,4-dione
The XLogP value of 4.05882 indicates that 5-Methoxy-2-(p-tolylsulfanyl)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 43.37 Ų, 5-Methoxy-2-(p-tolylsulfanyl)naphthalene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methoxy-2-(p-tolylsulfanyl)naphthalene-1,4-dione has 0 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 5-Methoxy-2-(p-tolylsulfanyl)naphthalene-1,4-dione?
The CAS number of 5-Methoxy-2-(p-tolylsulfanyl)naphthalene-1,4-dione is 856402-16-9.
What is the molecular formula of 5-Methoxy-2-(p-tolylsulfanyl)naphthalene-1,4-dione?
The molecular formula of 5-Methoxy-2-(p-tolylsulfanyl)naphthalene-1,4-dione is C18H14O3S.
What is the molecular weight of 5-Methoxy-2-(p-tolylsulfanyl)naphthalene-1,4-dione?
The molecular weight of 5-Methoxy-2-(p-tolylsulfanyl)naphthalene-1,4-dione is 310.07 g/mol.
Where can I buy 5-Methoxy-2-(p-tolylsulfanyl)naphthalene-1,4-dione?
You can request a quote for 5-Methoxy-2-(p-tolylsulfanyl)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 5-Methoxy-2-(p-tolylsulfanyl)naphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-Methoxy-2-(p-tolylsulfanyl)naphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.