3-(2,2-Dimethylpropyl)-4-hydroxynaphthalene-1,2-dione
TL;DR: 3-(2,2-Dimethylpropyl)-4-hydroxynaphthalene-1,2-dione (CAS 180918-46-1) is a chemical compound with molecular formula C15H16O3 and molecular weight 244.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,2-dimethylpropyl)-4-hydroxynaphthalene-1,2-dione
Also Known As: 3-(2,2-dimethylpropyl)-4-hydroxynaphthalene-1,2-dione, 2-Hydroxy-3-neopentyl-1,4-naphthoquinone, 2-Hydroxy-3-(2,2-dimethylpropyl)-1,4-naphthoquinone, 1,4-Naphthalenedione, 2-(2,2-dimethylpropyl)-3-hydroxy-, 2-(2.2-dimethylpropyl)-3-hydroxy-naphthalene-1 4-dione
| Molecular Formula | C15H16O3 |
|---|---|
| Molecular Weight | 244.11 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.10994 |
| Heavy Atoms | 18 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 180918-46-1 |
|---|---|
| SMILES | CC(C)(C)CC1=C(C2=CC=CC=C2C(=O)C1=O)O |
| InChIKey | FYVVSZCOMPTNGX-UHFFFAOYSA-N |
Product Overview
3-(2,2-Dimethylpropyl)-4-hydroxynaphthalene-1,2-dione (CAS 180918-46-1), with molecular formula C15H16O3 and molecular weight 244.11 g/mol. IUPAC: 3-(2,2-dimethylpropyl)-4-hydroxynaphthalene-1,2-dione.
Chemical Property Profile of 3-(2,2-Dimethylpropyl)-4-hydroxynaphthalene-1,2-dione
Property Insights of 3-(2,2-Dimethylpropyl)-4-hydroxynaphthalene-1,2-dione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,2-Dimethylpropyl)-4-hydroxynaphthalene-1,2-dione. With a topological polar surface area (TPSA) of 54.4 Ų, 3-(2,2-Dimethylpropyl)-4-hydroxynaphthalene-1,2-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,2-Dimethylpropyl)-4-hydroxynaphthalene-1,2-dione has 1 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 3-(2,2-Dimethylpropyl)-4-hydroxynaphthalene-1,2-dione?
The CAS number of 3-(2,2-Dimethylpropyl)-4-hydroxynaphthalene-1,2-dione is 180918-46-1.
What is the molecular formula of 3-(2,2-Dimethylpropyl)-4-hydroxynaphthalene-1,2-dione?
The molecular formula of 3-(2,2-Dimethylpropyl)-4-hydroxynaphthalene-1,2-dione is C15H16O3.
What is the molecular weight of 3-(2,2-Dimethylpropyl)-4-hydroxynaphthalene-1,2-dione?
The molecular weight of 3-(2,2-Dimethylpropyl)-4-hydroxynaphthalene-1,2-dione is 244.11 g/mol.
Where can I buy 3-(2,2-Dimethylpropyl)-4-hydroxynaphthalene-1,2-dione?
You can request a quote for 3-(2,2-Dimethylpropyl)-4-hydroxynaphthalene-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-(2,2-Dimethylpropyl)-4-hydroxynaphthalene-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,2-Dimethylpropyl)-4-hydroxynaphthalene-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.