Angeloylshikonin
TL;DR: Angeloylshikonin (CAS 57094-89-0) is a chemical compound with molecular formula C21H22O6 and molecular weight 370.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] (Z)-2-methylbut-2-enoate
Also Known As: Shikonin angelate, angeloylshikonin, Flemichin D, [(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] (Z)-2-methylbut-2-enoate, 2-Butenoic acid, 2-methyl-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester, (R-(Z))-
| Molecular Formula | C21H22O6 |
|---|---|
| Molecular Weight | 370.14 g/mol |
| LogP | 3.6375 |
| Topological Polar Surface Area | 100.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.14163 |
| Heavy Atoms | 27 |
| Complexity | 897.49207 |
Chemical Identifiers
| CAS Number | 57094-89-0 |
|---|---|
| SMILES | C/C=C(/C)\C(=O)O[C@H](CC=C(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O |
Product Overview
Angeloylshikonin (CAS 57094-89-0), with molecular formula C21H22O6 and molecular weight 370.14 g/mol. IUPAC: [(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] (Z)-2-methylbut-2-enoate.
Chemical Property Profile of Angeloylshikonin
Property Insights of Angeloylshikonin
The XLogP value of 3.6375 indicates that Angeloylshikonin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Angeloylshikonin. Following Lipinski's Rule of Five, Angeloylshikonin has 2 hydrogen bond donor(s) and 6 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 Angeloylshikonin?
The CAS number of Angeloylshikonin is 57094-89-0.
What is the molecular formula of Angeloylshikonin?
The molecular formula of Angeloylshikonin is C21H22O6.
What is the molecular weight of Angeloylshikonin?
The molecular weight of Angeloylshikonin is 370.14 g/mol.
Where can I buy Angeloylshikonin?
You can request a quote for Angeloylshikonin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Angeloylshikonin?
Yes, KEHONG BIO provides custom synthesis services for Angeloylshikonin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.