甲萘醌
TL;DR: 甲萘醌 (CAS 58-27-5) is a chemical compound with molecular formula C11H8O2 and molecular weight 172.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲萘醌
2-methylnaphthalene-1,4-dione
Also Known As: menadione, Vitamin K3, 2-Methyl-1,4-naphthoquinone, Menaphthone, Kayquinone
| Molecular Formula | C11H8O2 |
|---|---|
| Molecular Weight | 172.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.05243 |
| Heavy Atoms | 13 |
| Complexity | 288.0 |
| Melting Point | 107 |
| Solubility | 160 |
| Vapor Pressure | 0.000188 [mmHg] |
Chemical Identifiers
| CAS Number | 58-27-5 |
|---|---|
| SMILES | CC1=CC(=O)C2=CC=CC=C2C1=O |
| InChIKey | MJVAVZPDRWSRRC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲萘醌 (CAS 58-27-5), with molecular formula C11H8O2 and molecular weight 172.05 g/mol. IUPAC: 2-methylnaphthalene-1,4-dione.
Chemical Property Profile of 甲萘醌
Property Insights of 甲萘醌
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲萘醌. With a topological polar surface area (TPSA) of 34.1 Ų, 甲萘醌 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲萘醌 has 0 hydrogen bond donor(s) and 2 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 甲萘醌?
The CAS number of 甲萘醌 is 58-27-5.
What is the molecular formula of 甲萘醌?
The molecular formula of 甲萘醌 is C11H8O2.
What is the molecular weight of 甲萘醌?
The molecular weight of 甲萘醌 is 172.05 g/mol.
Where can I buy 甲萘醌?
You can request a quote for 甲萘醌 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲萘醌?
Yes, KEHONG BIO provides custom synthesis services for 甲萘醌 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.