Naphthylmercaptobenzoquinone
TL;DR: Naphthylmercaptobenzoquinone (CAS 6650-92-6) is a chemical compound with molecular formula C18H13ClO4S and molecular weight 360.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5,6-dimethoxy-3-naphthalen-2-ylsulfanylcyclohexa-2,5-diene-1,4-dione
Also Known As: Naphthylmercaptobenzoquinone, 2,5-Cyclohexadiene-1,4-dione, 2-chloro-5,6-dimethoxy-3-(2-naphthalenylthio)-, 2-chloro-5,6-dimethoxy-3-naphthalen-2-ylsulfanylcyclohexa-2,5-diene-1,4-dione, 6beta-Naphthylmercapto-5-chloro-2,3-dimethoxy-4-benzoquinone, 2-chloro-5,6-dimethoxy-3-naphthalen-2-ylsulfanylcyclohexa-2,
| Molecular Formula | C18H13ClO4S |
|---|---|
| Molecular Weight | 360.02 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.0223 |
| Heavy Atoms | 24 |
| Complexity | 610.0 |
Chemical Identifiers
| CAS Number | 6650-92-6 |
|---|---|
| SMILES | COC1=C(C(=O)C(=C(C1=O)SC2=CC3=CC=CC=C3C=C2)Cl)OC |
| InChIKey | ICZQVVIENHPUGS-UHFFFAOYSA-N |
Product Overview
Naphthylmercaptobenzoquinone (CAS 6650-92-6), with molecular formula C18H13ClO4S and molecular weight 360.02 g/mol. IUPAC: 2-chloro-5,6-dimethoxy-3-naphthalen-2-ylsulfanylcyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of Naphthylmercaptobenzoquinone
Property Insights of Naphthylmercaptobenzoquinone
The XLogP value of 4.8 indicates that Naphthylmercaptobenzoquinone 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 Naphthylmercaptobenzoquinone. Following Lipinski's Rule of Five, Naphthylmercaptobenzoquinone 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 Naphthylmercaptobenzoquinone?
The CAS number of Naphthylmercaptobenzoquinone is 6650-92-6.
What is the molecular formula of Naphthylmercaptobenzoquinone?
The molecular formula of Naphthylmercaptobenzoquinone is C18H13ClO4S.
What is the molecular weight of Naphthylmercaptobenzoquinone?
The molecular weight of Naphthylmercaptobenzoquinone is 360.02 g/mol.
Where can I buy Naphthylmercaptobenzoquinone?
You can request a quote for Naphthylmercaptobenzoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naphthylmercaptobenzoquinone?
Yes, KEHONG BIO provides custom synthesis services for Naphthylmercaptobenzoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.