1,4-Naphthalenedione, 5-methoxy-
TL;DR: 1,4-Naphthalenedione, 5-methoxy- (CAS 4923-61-9) is a chemical compound with molecular formula C11H8O3 and molecular weight 188.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxynaphthalene-1,4-dione
Also Known As: O-Methyljuglone, 5-methoxynaphthalene-1,4-dione, 1,4-Naphthalenedione, 5-methoxy-, 8-Methoxy-1,4-naphthoquinone, 1, 5-methoxy-
| Molecular Formula | C11H8O3 |
|---|---|
| Molecular Weight | 188.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.04735 |
| Heavy Atoms | 14 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 4923-61-9 |
|---|---|
| SMILES | COC1=CC=CC2=C1C(=O)C=CC2=O |
| InChIKey | DBDLTJRCKGCKSK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Naphthalenedione, 5-methoxy- (CAS 4923-61-9), with molecular formula C11H8O3 and molecular weight 188.05 g/mol. IUPAC: 5-methoxynaphthalene-1,4-dione.
Chemical Property Profile of 1,4-Naphthalenedione, 5-methoxy-
Property Insights of 1,4-Naphthalenedione, 5-methoxy-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Naphthalenedione, 5-methoxy-. With a topological polar surface area (TPSA) of 43.4 Ų, 1,4-Naphthalenedione, 5-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Naphthalenedione, 5-methoxy- 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, 5-methoxy-?
The CAS number of 1,4-Naphthalenedione, 5-methoxy- is 4923-61-9.
What is the molecular formula of 1,4-Naphthalenedione, 5-methoxy-?
The molecular formula of 1,4-Naphthalenedione, 5-methoxy- is C11H8O3.
What is the molecular weight of 1,4-Naphthalenedione, 5-methoxy-?
The molecular weight of 1,4-Naphthalenedione, 5-methoxy- is 188.05 g/mol.
Where can I buy 1,4-Naphthalenedione, 5-methoxy-?
You can request a quote for 1,4-Naphthalenedione, 5-methoxy- 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, 5-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthalenedione, 5-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.