Shikodomedin
TL;DR: Shikodomedin (CAS 71503-81-6) is a chemical compound with molecular formula C24H32O7 and molecular weight 432.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-acetyloxy-2-hydroxy-5,5,9-trimethyl-14-methylidene-10,15-dioxo-6-tricyclo[11.2.1.04,9]hexadec-1(16)-enyl) acetate
Also Known As: SHIKODOMEDIN, 6-Hydroxy-4,4,13a-trimethyl-9-methylidene-8,13-dioxotetradecahydro-10,7-(metheno)benzo[11]annulene-1,3-diyl diacetate
| Molecular Formula | C24H32O7 |
|---|---|
| Molecular Weight | 432.21 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.2148 |
| Heavy Atoms | 31 |
| Complexity | 867.0 |
Chemical Identifiers
| CAS Number | 71503-81-6 |
|---|---|
| SMILES | CC(=O)OC1CC(C2(C(C1(C)C)CC(C3=CC(CCC2=O)C(=C)C3=O)O)C)OC(=O)C |
| InChIKey | XZIWCGKVUXCSPI-UHFFFAOYSA-N |
Product Overview
Shikodomedin (CAS 71503-81-6), with molecular formula C24H32O7 and molecular weight 432.21 g/mol. IUPAC: (8-acetyloxy-2-hydroxy-5,5,9-trimethyl-14-methylidene-10,15-dioxo-6-tricyclo[11.2.1.04,9]hexadec-1(16)-enyl) acetate.
Chemical Property Profile of Shikodomedin
Property Insights of Shikodomedin
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Shikodomedin. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Shikodomedin. Following Lipinski's Rule of Five, Shikodomedin has 1 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 Shikodomedin?
The CAS number of Shikodomedin is 71503-81-6.
What is the molecular formula of Shikodomedin?
The molecular formula of Shikodomedin is C24H32O7.
What is the molecular weight of Shikodomedin?
The molecular weight of Shikodomedin is 432.21 g/mol.
Where can I buy Shikodomedin?
You can request a quote for Shikodomedin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Shikodomedin?
Yes, KEHONG BIO provides custom synthesis services for Shikodomedin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.