1,4-Naphthalenedione, 5-hydroxy-7-methoxy-
TL;DR: 1,4-Naphthalenedione, 5-hydroxy-7-methoxy- (CAS 70063-61-5) is a chemical compound with molecular formula C11H8O4 and molecular weight 204.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-7-methoxynaphthalene-1,4-dione
Also Known As: 5-hydroxy-7-methoxynaphthalene-1,4-dione, 1,4-Naphthalenedione, 5-hydroxy-7-methoxy-, 5-Hydroxy-7-methoxy-1,4-naphthoquinone, J3.376.747A, 5-hydroxy-7-methoxy-1,4-dihydronaphthalene-1,4-dione
| Molecular Formula | C11H8O4 |
|---|---|
| Molecular Weight | 204.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.04225 |
| Heavy Atoms | 15 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 70063-61-5 |
|---|---|
| SMILES | COC1=CC2=C(C(=O)C=CC2=O)C(=C1)O |
| InChIKey | OHLFONANHBAJJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Naphthalenedione, 5-hydroxy-7-methoxy- (CAS 70063-61-5), with molecular formula C11H8O4 and molecular weight 204.04 g/mol. IUPAC: 5-hydroxy-7-methoxynaphthalene-1,4-dione.
Chemical Property Profile of 1,4-Naphthalenedione, 5-hydroxy-7-methoxy-
Property Insights of 1,4-Naphthalenedione, 5-hydroxy-7-methoxy-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Naphthalenedione, 5-hydroxy-7-methoxy-. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Naphthalenedione, 5-hydroxy-7-methoxy-. Following Lipinski's Rule of Five, 1,4-Naphthalenedione, 5-hydroxy-7-methoxy- has 1 hydrogen bond donor(s) and 4 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-hydroxy-7-methoxy-?
The CAS number of 1,4-Naphthalenedione, 5-hydroxy-7-methoxy- is 70063-61-5.
What is the molecular formula of 1,4-Naphthalenedione, 5-hydroxy-7-methoxy-?
The molecular formula of 1,4-Naphthalenedione, 5-hydroxy-7-methoxy- is C11H8O4.
What is the molecular weight of 1,4-Naphthalenedione, 5-hydroxy-7-methoxy-?
The molecular weight of 1,4-Naphthalenedione, 5-hydroxy-7-methoxy- is 204.04 g/mol.
Where can I buy 1,4-Naphthalenedione, 5-hydroxy-7-methoxy-?
You can request a quote for 1,4-Naphthalenedione, 5-hydroxy-7-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-hydroxy-7-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthalenedione, 5-hydroxy-7-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.