p-Aspidin
TL;DR: p-Aspidin (CAS 989-54-8) 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-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
Also Known As: p-Aspidin, Paraaspidin, p-Aspidin BB, para-Aspidin BB, Para-aspidin
| 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 | 989-54-8 |
|---|---|
| SMILES | CCCC(=O)C1=C(C(=C(C(=C1O)C)OC)CC2=C(C(C(=O)C(=C2O)C(=O)CCC)(C)C)O)O |
| InChIKey | RHHXCNHESMAVTJ-UHFFFAOYSA-N |
Product Overview
p-Aspidin (CAS 989-54-8), with molecular formula C25H32O8 and molecular weight 460.21 g/mol. IUPAC: 2-butanoyl-4-[(3-butanoyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one.
Chemical Property Profile of p-Aspidin
Property Insights of p-Aspidin
The XLogP value of 4.1 indicates that p-Aspidin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting p-Aspidin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, p-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 p-Aspidin?
The CAS number of p-Aspidin is 989-54-8.
What is the molecular formula of p-Aspidin?
The molecular formula of p-Aspidin is C25H32O8.
What is the molecular weight of p-Aspidin?
The molecular weight of p-Aspidin is 460.21 g/mol.
Where can I buy p-Aspidin?
You can request a quote for p-Aspidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Aspidin?
Yes, KEHONG BIO provides custom synthesis services for p-Aspidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.