1,4-Naphthalenedione, 2-(phenylthio)-
TL;DR: 1,4-Naphthalenedione, 2-(phenylthio)- (CAS 57341-12-5) is a chemical compound with molecular formula C16H10O2S and molecular weight 266.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylsulfanylnaphthalene-1,4-dione
Also Known As: SARS-CoV-2-IN-80, 1,4-Naphthalenedione, 2-(phenylthio)-, 2-Phenylthio-1,4-naphthoquinone, 2-phenylsulfanylnaphthalene-1,4-dione, 2-(Phenylsulfanyl)naphthoquinone
| Molecular Formula | C16H10O2S |
|---|---|
| Molecular Weight | 266.04 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.04016 |
| Heavy Atoms | 19 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 57341-12-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=CC(=O)C3=CC=CC=C3C2=O |
| InChIKey | YRZIOOUBKJSECZ-UHFFFAOYSA-N |
Product Overview
1,4-Naphthalenedione, 2-(phenylthio)- (CAS 57341-12-5), with molecular formula C16H10O2S and molecular weight 266.04 g/mol. IUPAC: 2-phenylsulfanylnaphthalene-1,4-dione.
Chemical Property Profile of 1,4-Naphthalenedione, 2-(phenylthio)-
Property Insights of 1,4-Naphthalenedione, 2-(phenylthio)-
The XLogP value of 3.6 indicates that 1,4-Naphthalenedione, 2-(phenylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.4 Ų, 1,4-Naphthalenedione, 2-(phenylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Naphthalenedione, 2-(phenylthio)- has 0 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 1,4-Naphthalenedione, 2-(phenylthio)-?
The CAS number of 1,4-Naphthalenedione, 2-(phenylthio)- is 57341-12-5.
What is the molecular formula of 1,4-Naphthalenedione, 2-(phenylthio)-?
The molecular formula of 1,4-Naphthalenedione, 2-(phenylthio)- is C16H10O2S.
What is the molecular weight of 1,4-Naphthalenedione, 2-(phenylthio)-?
The molecular weight of 1,4-Naphthalenedione, 2-(phenylthio)- is 266.04 g/mol.
Where can I buy 1,4-Naphthalenedione, 2-(phenylthio)-?
You can request a quote for 1,4-Naphthalenedione, 2-(phenylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Naphthalenedione, 2-(phenylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthalenedione, 2-(phenylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.