Alkannan
TL;DR: Alkannan (CAS 517-90-8) is a chemical compound with molecular formula C16H18O4 and molecular weight 274.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,8-dihydroxy-2-(4-methylpentyl)naphthalene-1,4-dione
Also Known As: Alkannan, Alkanna, 5,8-dihydroxy-2-(4-methylpentyl)naphthalene-1,4-dione, 1,4-Naphthoquinone, 5,8-dihydroxy-2-isohexyl-, 5,8-Dihydroxy-2-(4-methylpentyl)-1,4-naphthoquinone
| Molecular Formula | C16H18O4 |
|---|---|
| Molecular Weight | 274.12 g/mol |
| LogP | 3.2295 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.1205 |
| Heavy Atoms | 20 |
| Complexity | 596.73956 |
Chemical Identifiers
| CAS Number | 517-90-8 |
|---|---|
| SMILES | CC(C)CCCC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O |
Product Overview
Alkannan (CAS 517-90-8), with molecular formula C16H18O4 and molecular weight 274.12 g/mol. IUPAC: 5,8-dihydroxy-2-(4-methylpentyl)naphthalene-1,4-dione.
Chemical Property Profile of Alkannan
Property Insights of Alkannan
The XLogP value of 3.2295 indicates that Alkannan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Alkannan. Following Lipinski's Rule of Five, Alkannan has 2 hydrogen bond donor(s) and 4 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 Alkannan?
The CAS number of Alkannan is 517-90-8.
What is the molecular formula of Alkannan?
The molecular formula of Alkannan is C16H18O4.
What is the molecular weight of Alkannan?
The molecular weight of Alkannan is 274.12 g/mol.
Where can I buy Alkannan?
You can request a quote for Alkannan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alkannan?
Yes, KEHONG BIO provides custom synthesis services for Alkannan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.