1,4-Naphthalenedione, 6-acetyl-5-hydroxy-7-methyl-
TL;DR: 1,4-Naphthalenedione, 6-acetyl-5-hydroxy-7-methyl- (CAS 1991-28-2) is a chemical compound with molecular formula C13H10O4 and molecular weight 230.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-acetyl-5-hydroxy-7-methylnaphthalene-1,4-dione
Also Known As: Stypandron, Stypandrone, 1,4-Naphthalenedione, 6-acetyl-5-hydroxy-7-methyl-, 6-acetyl-5-hydroxy-7-methylnaphthalene-1,4-dione, 6-Acetyl-5-hydroxy-7-methyl-1,4-naphthoquinone
| Molecular Formula | C13H10O4 |
|---|---|
| Molecular Weight | 230.06 g/mol |
| LogP | 1.83842 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.0579 |
| Heavy Atoms | 17 |
| Complexity | 593.9273 |
Chemical Identifiers
| CAS Number | 1991-28-2 |
|---|---|
| SMILES | CC1=CC2=C(C(=O)C=CC2=O)C(=C1C(=O)C)O |
Product Overview
1,4-Naphthalenedione, 6-acetyl-5-hydroxy-7-methyl- (CAS 1991-28-2), with molecular formula C13H10O4 and molecular weight 230.06 g/mol. IUPAC: 6-acetyl-5-hydroxy-7-methylnaphthalene-1,4-dione.
Chemical Property Profile of 1,4-Naphthalenedione, 6-acetyl-5-hydroxy-7-methyl-
Property Insights of 1,4-Naphthalenedione, 6-acetyl-5-hydroxy-7-methyl-
The XLogP value of 1.83842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Naphthalenedione, 6-acetyl-5-hydroxy-7-methyl-. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Naphthalenedione, 6-acetyl-5-hydroxy-7-methyl-. Following Lipinski's Rule of Five, 1,4-Naphthalenedione, 6-acetyl-5-hydroxy-7-methyl- 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, 6-acetyl-5-hydroxy-7-methyl-?
The CAS number of 1,4-Naphthalenedione, 6-acetyl-5-hydroxy-7-methyl- is 1991-28-2.
What is the molecular formula of 1,4-Naphthalenedione, 6-acetyl-5-hydroxy-7-methyl-?
The molecular formula of 1,4-Naphthalenedione, 6-acetyl-5-hydroxy-7-methyl- is C13H10O4.
What is the molecular weight of 1,4-Naphthalenedione, 6-acetyl-5-hydroxy-7-methyl-?
The molecular weight of 1,4-Naphthalenedione, 6-acetyl-5-hydroxy-7-methyl- is 230.06 g/mol.
Where can I buy 1,4-Naphthalenedione, 6-acetyl-5-hydroxy-7-methyl-?
You can request a quote for 1,4-Naphthalenedione, 6-acetyl-5-hydroxy-7-methyl- 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, 6-acetyl-5-hydroxy-7-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthalenedione, 6-acetyl-5-hydroxy-7-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.