5,6,7,8-Tetrahydro-2-methyl-1,4-naphthalenedione
TL;DR: 5,6,7,8-Tetrahydro-2-methyl-1,4-naphthalenedione (CAS 58-26-4) is a chemical compound with molecular formula C11H12O2 and molecular weight 176.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5,6,7,8-tetrahydronaphthalene-1,4-dione
Also Known As: 5,6,7,8-Tetrahydro-2-methyl-1,4-naphthoquinone, J1.402.360G, 2-methyl-5,6,7,8-tetrahydronaphthalene-1,4-dione, 5,6,7,8-Tetrahydro-2-methyl-1,4-naphthalenedione, 2-Methyl-5,6,7,8-tetrahydro-1,4-naphthoquinone
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.08372 |
| Heavy Atoms | 13 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 58-26-4 |
|---|---|
| SMILES | CC1=CC(=O)C2=C(C1=O)CCCC2 |
| InChIKey | MQFXMYKTKKEIMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,6,7,8-Tetrahydro-2-methyl-1,4-naphthalenedione (CAS 58-26-4), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: 2-methyl-5,6,7,8-tetrahydronaphthalene-1,4-dione.
Chemical Property Profile of 5,6,7,8-Tetrahydro-2-methyl-1,4-naphthalenedione
Property Insights of 5,6,7,8-Tetrahydro-2-methyl-1,4-naphthalenedione
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6,7,8-Tetrahydro-2-methyl-1,4-naphthalenedione. With a topological polar surface area (TPSA) of 34.1 Ų, 5,6,7,8-Tetrahydro-2-methyl-1,4-naphthalenedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6,7,8-Tetrahydro-2-methyl-1,4-naphthalenedione 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 5,6,7,8-Tetrahydro-2-methyl-1,4-naphthalenedione?
The CAS number of 5,6,7,8-Tetrahydro-2-methyl-1,4-naphthalenedione is 58-26-4.
What is the molecular formula of 5,6,7,8-Tetrahydro-2-methyl-1,4-naphthalenedione?
The molecular formula of 5,6,7,8-Tetrahydro-2-methyl-1,4-naphthalenedione is C11H12O2.
What is the molecular weight of 5,6,7,8-Tetrahydro-2-methyl-1,4-naphthalenedione?
The molecular weight of 5,6,7,8-Tetrahydro-2-methyl-1,4-naphthalenedione is 176.08 g/mol.
Where can I buy 5,6,7,8-Tetrahydro-2-methyl-1,4-naphthalenedione?
You can request a quote for 5,6,7,8-Tetrahydro-2-methyl-1,4-naphthalenedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6,7,8-Tetrahydro-2-methyl-1,4-naphthalenedione?
Yes, KEHONG BIO provides custom synthesis services for 5,6,7,8-Tetrahydro-2-methyl-1,4-naphthalenedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.