4-Methylnaphthalene-1,2-dione
TL;DR: 4-Methylnaphthalene-1,2-dione (CAS 7477-57-8) 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.
4-methylnaphthalene-1,2-dione
Also Known As: 4-methylnaphthalene-1,2-dione, 4-methyl-1,2-naphthoquinone, 4-methyl-naphthalene-1,2-dione, 4-Methyl-1,2-dihydronaphthalene-1,2-dione, J2.368.875A
| Molecular Formula | C11H8O2 |
|---|---|
| Molecular Weight | 172.05 g/mol |
| LogP | 1.4 |
| 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 |
Chemical Identifiers
| CAS Number | 7477-57-8 |
|---|---|
| SMILES | CC1=CC(=O)C(=O)C2=CC=CC=C12 |
| InChIKey | CQOLMXXJPNVCME-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methylnaphthalene-1,2-dione (CAS 7477-57-8), with molecular formula C11H8O2 and molecular weight 172.05 g/mol. IUPAC: 4-methylnaphthalene-1,2-dione.
Chemical Property Profile of 4-Methylnaphthalene-1,2-dione
Property Insights of 4-Methylnaphthalene-1,2-dione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylnaphthalene-1,2-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 4-Methylnaphthalene-1,2-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylnaphthalene-1,2-dione 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 4-Methylnaphthalene-1,2-dione?
The CAS number of 4-Methylnaphthalene-1,2-dione is 7477-57-8.
What is the molecular formula of 4-Methylnaphthalene-1,2-dione?
The molecular formula of 4-Methylnaphthalene-1,2-dione is C11H8O2.
What is the molecular weight of 4-Methylnaphthalene-1,2-dione?
The molecular weight of 4-Methylnaphthalene-1,2-dione is 172.05 g/mol.
Where can I buy 4-Methylnaphthalene-1,2-dione?
You can request a quote for 4-Methylnaphthalene-1,2-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylnaphthalene-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylnaphthalene-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.