3-(3,7-Dimethyloctyl)-4-hydroxynaphthalene-1,2-dione
TL;DR: 3-(3,7-Dimethyloctyl)-4-hydroxynaphthalene-1,2-dione (CAS 33581-93-0) is a chemical compound with molecular formula C20H26O3 and molecular weight 314.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,7-dimethyloctyl)-4-hydroxynaphthalene-1,2-dione
Also Known As: Palmitic-9,10-t2-acid, 3-(3,7-dimethyloctyl)-4-hydroxynaphthalene-1,2-dione, J1.513.302C, 1,4-Naphthalenedione,2-(3,7-dimethyloctyl)-3-hydroxy-, 2-Hydroxy-3-(3,7-dimethyloctyl)-1,4-naphthoquinone
| Molecular Formula | C20H26O3 |
|---|---|
| Molecular Weight | 314.19 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 314.1882 |
| Heavy Atoms | 23 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 33581-93-0 |
|---|---|
| SMILES | CC(C)CCCC(C)CCC1=C(C2=CC=CC=C2C(=O)C1=O)O |
| InChIKey | GFCHWTMLPIXTQO-UHFFFAOYSA-N |
Product Overview
3-(3,7-Dimethyloctyl)-4-hydroxynaphthalene-1,2-dione (CAS 33581-93-0), with molecular formula C20H26O3 and molecular weight 314.19 g/mol. IUPAC: 3-(3,7-dimethyloctyl)-4-hydroxynaphthalene-1,2-dione.
Chemical Property Profile of 3-(3,7-Dimethyloctyl)-4-hydroxynaphthalene-1,2-dione
Property Insights of 3-(3,7-Dimethyloctyl)-4-hydroxynaphthalene-1,2-dione
The XLogP value of 5.4 indicates that 3-(3,7-Dimethyloctyl)-4-hydroxynaphthalene-1,2-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 3-(3,7-Dimethyloctyl)-4-hydroxynaphthalene-1,2-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,7-Dimethyloctyl)-4-hydroxynaphthalene-1,2-dione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(3,7-Dimethyloctyl)-4-hydroxynaphthalene-1,2-dione?
The CAS number of 3-(3,7-Dimethyloctyl)-4-hydroxynaphthalene-1,2-dione is 33581-93-0.
What is the molecular formula of 3-(3,7-Dimethyloctyl)-4-hydroxynaphthalene-1,2-dione?
The molecular formula of 3-(3,7-Dimethyloctyl)-4-hydroxynaphthalene-1,2-dione is C20H26O3.
What is the molecular weight of 3-(3,7-Dimethyloctyl)-4-hydroxynaphthalene-1,2-dione?
The molecular weight of 3-(3,7-Dimethyloctyl)-4-hydroxynaphthalene-1,2-dione is 314.19 g/mol.
Where can I buy 3-(3,7-Dimethyloctyl)-4-hydroxynaphthalene-1,2-dione?
You can request a quote for 3-(3,7-Dimethyloctyl)-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-(3,7-Dimethyloctyl)-4-hydroxynaphthalene-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,7-Dimethyloctyl)-4-hydroxynaphthalene-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.