Alkannin-beta-hydroxyisovalerate
TL;DR: Alkannin-beta-hydroxyisovalerate (CAS 7415-78-3) is a chemical compound with molecular formula C21H24O7 and molecular weight 388.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-hydroxy-3-methylbutanoate
Also Known As: Alkannin-beta-hydroxyisovalerate, beta-Hydroxyisovalerylshikonin, ?-Hydroxyisovalerylshikonin, A-hydroxylsovalerylshikonin, Beta-Hydroxylsovalerylshikonin
| Molecular Formula | C21H24O7 |
|---|---|
| Molecular Weight | 388.15 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 388.1522 |
| Heavy Atoms | 28 |
| Complexity | 700.0 |
Chemical Identifiers
| CAS Number | 7415-78-3 |
|---|---|
| SMILES | CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)CC(C)(C)O)C |
| InChIKey | MXANJRGHSFELEJ-UHFFFAOYSA-N |
Product Overview
Alkannin-beta-hydroxyisovalerate (CAS 7415-78-3), with molecular formula C21H24O7 and molecular weight 388.15 g/mol. IUPAC: [1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-hydroxy-3-methylbutanoate.
Chemical Property Profile of Alkannin-beta-hydroxyisovalerate
Property Insights of Alkannin-beta-hydroxyisovalerate
The XLogP value of 3.4 indicates that Alkannin-beta-hydroxyisovalerate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Alkannin-beta-hydroxyisovalerate. Following Lipinski's Rule of Five, Alkannin-beta-hydroxyisovalerate has 3 hydrogen bond donor(s) and 7 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 Alkannin-beta-hydroxyisovalerate?
The CAS number of Alkannin-beta-hydroxyisovalerate is 7415-78-3.
What is the molecular formula of Alkannin-beta-hydroxyisovalerate?
The molecular formula of Alkannin-beta-hydroxyisovalerate is C21H24O7.
What is the molecular weight of Alkannin-beta-hydroxyisovalerate?
The molecular weight of Alkannin-beta-hydroxyisovalerate is 388.15 g/mol.
Where can I buy Alkannin-beta-hydroxyisovalerate?
You can request a quote for Alkannin-beta-hydroxyisovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alkannin-beta-hydroxyisovalerate?
Yes, KEHONG BIO provides custom synthesis services for Alkannin-beta-hydroxyisovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.