3-Butyl-4-hydroxynaphthalene-1,2-dione
TL;DR: 3-Butyl-4-hydroxynaphthalene-1,2-dione (CAS 29366-46-9) is a chemical compound with molecular formula C14H14O3 and molecular weight 230.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-4-hydroxynaphthalene-1,2-dione
Also Known As: 3-butyl-4-hydroxynaphthalene-1,2-dione, (cis-4-Aminocyclohexyl)methanol, 2-Butyl-3-hydroxynaphthoquinone, 2-Butyl-3-hydroxynaphthoquinone #, 2-Butyl-3-hydroxy-1,4-naphthoquinone
| Molecular Formula | C14H14O3 |
|---|---|
| Molecular Weight | 230.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.0943 |
| Heavy Atoms | 17 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 29366-46-9 |
|---|---|
| SMILES | CCCCC1=C(C2=CC=CC=C2C(=O)C1=O)O |
| InChIKey | JHEUCILFBMHLCS-UHFFFAOYSA-N |
Product Overview
3-Butyl-4-hydroxynaphthalene-1,2-dione (CAS 29366-46-9), with molecular formula C14H14O3 and molecular weight 230.09 g/mol. IUPAC: 3-butyl-4-hydroxynaphthalene-1,2-dione.
Chemical Property Profile of 3-Butyl-4-hydroxynaphthalene-1,2-dione
Property Insights of 3-Butyl-4-hydroxynaphthalene-1,2-dione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butyl-4-hydroxynaphthalene-1,2-dione. With a topological polar surface area (TPSA) of 54.4 Ų, 3-Butyl-4-hydroxynaphthalene-1,2-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butyl-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-Butyl-4-hydroxynaphthalene-1,2-dione?
The CAS number of 3-Butyl-4-hydroxynaphthalene-1,2-dione is 29366-46-9.
What is the molecular formula of 3-Butyl-4-hydroxynaphthalene-1,2-dione?
The molecular formula of 3-Butyl-4-hydroxynaphthalene-1,2-dione is C14H14O3.
What is the molecular weight of 3-Butyl-4-hydroxynaphthalene-1,2-dione?
The molecular weight of 3-Butyl-4-hydroxynaphthalene-1,2-dione is 230.09 g/mol.
Where can I buy 3-Butyl-4-hydroxynaphthalene-1,2-dione?
You can request a quote for 3-Butyl-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-Butyl-4-hydroxynaphthalene-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyl-4-hydroxynaphthalene-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.