Aspidin
TL;DR: Aspidin (CAS 584-28-1) is a chemical compound with molecular formula C25H32O8 and molecular weight 460.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butanoyl-4-[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
Also Known As: Aspidin BB, Aspidin, Aspidin VV, aspidinBB, POLYSTICHIN
| Molecular Formula | C25H32O8 |
|---|---|
| Molecular Weight | 460.21 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 460.20972 |
| Heavy Atoms | 33 |
| Complexity | 852.0 |
Chemical Identifiers
| CAS Number | 584-28-1 |
|---|---|
| SMILES | CCCC(=O)C1=C(C(=C(C(C1=O)(C)C)O)CC2=C(C(=C(C(=C2O)C)OC)C(=O)CCC)O)O |
| InChIKey | PLGZOIJJUOHZJA-UHFFFAOYSA-N |
Product Overview
Aspidin (CAS 584-28-1), with molecular formula C25H32O8 and molecular weight 460.21 g/mol. IUPAC: 2-butanoyl-4-[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one.
Chemical Property Profile of Aspidin
Property Insights of Aspidin
The XLogP value of 4.1 indicates that Aspidin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting Aspidin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aspidin has 4 hydrogen bond donor(s) and 8 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 Aspidin?
The CAS number of Aspidin is 584-28-1.
What is the molecular formula of Aspidin?
The molecular formula of Aspidin is C25H32O8.
What is the molecular weight of Aspidin?
The molecular weight of Aspidin is 460.21 g/mol.
Where can I buy Aspidin?
You can request a quote for Aspidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aspidin?
Yes, KEHONG BIO provides custom synthesis services for Aspidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.