2-Acetyl-3-methylnaphthalene-1,4-dione
TL;DR: 2-Acetyl-3-methylnaphthalene-1,4-dione (CAS 40420-50-6) is a chemical compound with molecular formula C13H10O3 and molecular weight 214.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyl-3-methylnaphthalene-1,4-dione
Also Known As: AcMNQ, 2-acetyl-3-methylnaphthalene-1,4-dione, Vitamin K1 Impurity 220, 2-Acetyl-3-methylnaphthoquinone, 2-Acetyl-3-methylnaphthoquinone #
| Molecular Formula | C13H10O3 |
|---|---|
| Molecular Weight | 214.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.06299 |
| Heavy Atoms | 16 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 40420-50-6 |
|---|---|
| SMILES | CC1=C(C(=O)C2=CC=CC=C2C1=O)C(=O)C |
| InChIKey | DWLAQGWUZSTRLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Acetyl-3-methylnaphthalene-1,4-dione (CAS 40420-50-6), with molecular formula C13H10O3 and molecular weight 214.06 g/mol. IUPAC: 2-acetyl-3-methylnaphthalene-1,4-dione.
Chemical Property Profile of 2-Acetyl-3-methylnaphthalene-1,4-dione
Property Insights of 2-Acetyl-3-methylnaphthalene-1,4-dione
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetyl-3-methylnaphthalene-1,4-dione. With a topological polar surface area (TPSA) of 51.2 Ų, 2-Acetyl-3-methylnaphthalene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetyl-3-methylnaphthalene-1,4-dione has 0 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 2-Acetyl-3-methylnaphthalene-1,4-dione?
The CAS number of 2-Acetyl-3-methylnaphthalene-1,4-dione is 40420-50-6.
What is the molecular formula of 2-Acetyl-3-methylnaphthalene-1,4-dione?
The molecular formula of 2-Acetyl-3-methylnaphthalene-1,4-dione is C13H10O3.
What is the molecular weight of 2-Acetyl-3-methylnaphthalene-1,4-dione?
The molecular weight of 2-Acetyl-3-methylnaphthalene-1,4-dione is 214.06 g/mol.
Where can I buy 2-Acetyl-3-methylnaphthalene-1,4-dione?
You can request a quote for 2-Acetyl-3-methylnaphthalene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetyl-3-methylnaphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-3-methylnaphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.