3,7-Dimethylnaphthalene-1,2-dione
TL;DR: 3,7-Dimethylnaphthalene-1,2-dione (CAS 7475-01-6) is a chemical compound with molecular formula C12H10O2 and molecular weight 186.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethylnaphthalene-1,2-dione
Also Known As: 1, 3,7-dimethyl-, 3,7-dimethylnaphthalene-1,2-dione, 3,7-dimethyl-[1,2]naphthoquinone, 1,2-Naphthoquinone, 3,7-dimethyl-, NCI60_003761
| Molecular Formula | C12H10O2 |
|---|---|
| Molecular Weight | 186.07 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 | 186.06808 |
| Heavy Atoms | 14 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 7475-01-6 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C=C(C(=O)C2=O)C |
| InChIKey | SJOKRUOFICLCJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,7-Dimethylnaphthalene-1,2-dione (CAS 7475-01-6), with molecular formula C12H10O2 and molecular weight 186.07 g/mol. IUPAC: 3,7-dimethylnaphthalene-1,2-dione.
Chemical Property Profile of 3,7-Dimethylnaphthalene-1,2-dione
Property Insights of 3,7-Dimethylnaphthalene-1,2-dione
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Dimethylnaphthalene-1,2-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 3,7-Dimethylnaphthalene-1,2-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethylnaphthalene-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 3,7-Dimethylnaphthalene-1,2-dione?
The CAS number of 3,7-Dimethylnaphthalene-1,2-dione is 7475-01-6.
What is the molecular formula of 3,7-Dimethylnaphthalene-1,2-dione?
The molecular formula of 3,7-Dimethylnaphthalene-1,2-dione is C12H10O2.
What is the molecular weight of 3,7-Dimethylnaphthalene-1,2-dione?
The molecular weight of 3,7-Dimethylnaphthalene-1,2-dione is 186.07 g/mol.
Where can I buy 3,7-Dimethylnaphthalene-1,2-dione?
You can request a quote for 3,7-Dimethylnaphthalene-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 3,7-Dimethylnaphthalene-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dimethylnaphthalene-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.