2,3-Dimethoxy-5-naphthalen-2-ylsulfanylcyclohexa-2,5-diene-1,4-dione
TL;DR: 2,3-Dimethoxy-5-naphthalen-2-ylsulfanylcyclohexa-2,5-diene-1,4-dione (CAS 58511-94-7) is a chemical compound with molecular formula C18H14O4S and molecular weight 326.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dimethoxy-5-naphthalen-2-ylsulfanylcyclohexa-2,5-diene-1,4-dione
Also Known As: NCI60_001892, 2,3-dimethoxy-5-(2-naphthylthio)-p-benzoquinone, 2,3-dimethoxy-5-naphthalen-2-ylsulfanylcyclohexa-2,5-diene-1,4-dione, 2,4-dione, 2,3-dimethoxy-5-(2-naphthalenylthio)-, 2,3-dimethoxy-5-naphthalen-2-ylsulfanylcyclohexa-2,5-diene-1
| Molecular Formula | C18H14O4S |
|---|---|
| Molecular Weight | 326.06 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.06128 |
| Heavy Atoms | 23 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 58511-94-7 |
|---|---|
| SMILES | COC1=C(C(=O)C(=CC1=O)SC2=CC3=CC=CC=C3C=C2)OC |
| InChIKey | JYXVVHHLNIBPJM-UHFFFAOYSA-N |
Product Overview
2,3-Dimethoxy-5-naphthalen-2-ylsulfanylcyclohexa-2,5-diene-1,4-dione (CAS 58511-94-7), with molecular formula C18H14O4S and molecular weight 326.06 g/mol. IUPAC: 2,3-dimethoxy-5-naphthalen-2-ylsulfanylcyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2,3-Dimethoxy-5-naphthalen-2-ylsulfanylcyclohexa-2,5-diene-1,4-dione
Property Insights of 2,3-Dimethoxy-5-naphthalen-2-ylsulfanylcyclohexa-2,5-diene-1,4-dione
The XLogP value of 3.9 indicates that 2,3-Dimethoxy-5-naphthalen-2-ylsulfanylcyclohexa-2,5-diene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dimethoxy-5-naphthalen-2-ylsulfanylcyclohexa-2,5-diene-1,4-dione. Following Lipinski's Rule of Five, 2,3-Dimethoxy-5-naphthalen-2-ylsulfanylcyclohexa-2,5-diene-1,4-dione has 0 hydrogen bond donor(s) and 5 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 2,3-Dimethoxy-5-naphthalen-2-ylsulfanylcyclohexa-2,5-diene-1,4-dione?
The CAS number of 2,3-Dimethoxy-5-naphthalen-2-ylsulfanylcyclohexa-2,5-diene-1,4-dione is 58511-94-7.
What is the molecular formula of 2,3-Dimethoxy-5-naphthalen-2-ylsulfanylcyclohexa-2,5-diene-1,4-dione?
The molecular formula of 2,3-Dimethoxy-5-naphthalen-2-ylsulfanylcyclohexa-2,5-diene-1,4-dione is C18H14O4S.
What is the molecular weight of 2,3-Dimethoxy-5-naphthalen-2-ylsulfanylcyclohexa-2,5-diene-1,4-dione?
The molecular weight of 2,3-Dimethoxy-5-naphthalen-2-ylsulfanylcyclohexa-2,5-diene-1,4-dione is 326.06 g/mol.
Where can I buy 2,3-Dimethoxy-5-naphthalen-2-ylsulfanylcyclohexa-2,5-diene-1,4-dione?
You can request a quote for 2,3-Dimethoxy-5-naphthalen-2-ylsulfanylcyclohexa-2,5-diene-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 2,3-Dimethoxy-5-naphthalen-2-ylsulfanylcyclohexa-2,5-diene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dimethoxy-5-naphthalen-2-ylsulfanylcyclohexa-2,5-diene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.