2-Methyl-3-(phenylsulfanyl)naphthoquinone
TL;DR: 2-Methyl-3-(phenylsulfanyl)naphthoquinone (CAS 70691-68-8) is a chemical compound with molecular formula C17H12O2S and molecular weight 280.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-phenylsulfanylnaphthalene-1,4-dione
Also Known As: 2-methyl-3-(phenylsulfanyl)naphthoquinone, 2-methyl-3-phenylsulfanylnaphthalene-1,4-dione, 2-phenylthio-3-methyl-1,4-naphthoquinone, 2-(Phenylthio)-3-methyl-1,4-naphthoquinone, 2-Methyl-3-(phenylthio)-1,4-naphthoquinone
| Molecular Formula | C17H12O2S |
|---|---|
| Molecular Weight | 280.06 g/mol |
| LogP | 4.1319 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.0558 |
| Heavy Atoms | 20 |
| Complexity | 729.66504 |
Chemical Identifiers
| CAS Number | 70691-68-8 |
|---|---|
| SMILES | CC1=C(C(=O)C2=CC=CC=C2C1=O)SC3=CC=CC=C3 |
Product Overview
2-Methyl-3-(phenylsulfanyl)naphthoquinone (CAS 70691-68-8), with molecular formula C17H12O2S and molecular weight 280.06 g/mol. IUPAC: 2-methyl-3-phenylsulfanylnaphthalene-1,4-dione.
Chemical Property Profile of 2-Methyl-3-(phenylsulfanyl)naphthoquinone
Property Insights of 2-Methyl-3-(phenylsulfanyl)naphthoquinone
The XLogP value of 4.1319 indicates that 2-Methyl-3-(phenylsulfanyl)naphthoquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, 2-Methyl-3-(phenylsulfanyl)naphthoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-3-(phenylsulfanyl)naphthoquinone 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 2-Methyl-3-(phenylsulfanyl)naphthoquinone?
The CAS number of 2-Methyl-3-(phenylsulfanyl)naphthoquinone is 70691-68-8.
What is the molecular formula of 2-Methyl-3-(phenylsulfanyl)naphthoquinone?
The molecular formula of 2-Methyl-3-(phenylsulfanyl)naphthoquinone is C17H12O2S.
What is the molecular weight of 2-Methyl-3-(phenylsulfanyl)naphthoquinone?
The molecular weight of 2-Methyl-3-(phenylsulfanyl)naphthoquinone is 280.06 g/mol.
Where can I buy 2-Methyl-3-(phenylsulfanyl)naphthoquinone?
You can request a quote for 2-Methyl-3-(phenylsulfanyl)naphthoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-3-(phenylsulfanyl)naphthoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3-(phenylsulfanyl)naphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.