胡桃醌
TL;DR: 胡桃醌 (CAS 481-39-0) is a chemical compound with molecular formula C10H6O3 and molecular weight 174.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
胡桃醌
5-hydroxynaphthalene-1,4-dione
Also Known As: juglone, 5-Hydroxy-1,4-naphthoquinone, 5-Hydroxy-1,4-naphthalenedione, Regianin, Nucin
| Molecular Formula | C10H6O3 |
|---|---|
| Molecular Weight | 174.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 174.0317 |
| Heavy Atoms | 13 |
| Complexity | 280.0 |
| Melting Point | 155 °C |
Chemical Identifiers
| CAS Number | 481-39-0 |
|---|---|
| SMILES | C1=CC2=C(C(=O)C=CC2=O)C(=C1)O |
| InChIKey | KQPYUDDGWXQXHS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
胡桃醌 (CAS 481-39-0), with molecular formula C10H6O3 and molecular weight 174.03 g/mol. IUPAC: 5-hydroxynaphthalene-1,4-dione.
Chemical Property Profile of 胡桃醌
Property Insights of 胡桃醌
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 胡桃醌. With a topological polar surface area (TPSA) of 54.4 Ų, 胡桃醌 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 胡桃醌 has 1 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 胡桃醌?
The CAS number of 胡桃醌 is 481-39-0.
What is the molecular formula of 胡桃醌?
The molecular formula of 胡桃醌 is C10H6O3.
What is the molecular weight of 胡桃醌?
The molecular weight of 胡桃醌 is 174.03 g/mol.
Where can I buy 胡桃醌?
You can request a quote for 胡桃醌 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 胡桃醌?
Yes, KEHONG BIO provides custom synthesis services for 胡桃醌 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.