Aspidinin
TL;DR: Aspidinin (CAS 19489-48-6) is a chemical compound with molecular formula C21H26O7 and molecular weight 390.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-butanoyl-2,6-dihydroxy-3,3-dimethyl-4-oxocyclohexa-1,5-dien-1-yl)methyl]-6-propylpyran-2,4-dione
Also Known As: Aspidinin, Phloropyrone, Phloropyron, Polystichinin, Phloropyron BB
| Molecular Formula | C21H26O7 |
|---|---|
| Molecular Weight | 390.17 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 390.16785 |
| Heavy Atoms | 28 |
| Complexity | 824.0 |
Chemical Identifiers
| CAS Number | 19489-48-6 |
|---|---|
| SMILES | CCCC1=CC(=O)C(C(=O)O1)CC2=C(C(C(=O)C(=C2O)C(=O)CCC)(C)C)O |
| InChIKey | MCZBLHFHWQZZGB-UHFFFAOYSA-N |
Product Overview
Aspidinin (CAS 19489-48-6), with molecular formula C21H26O7 and molecular weight 390.17 g/mol. IUPAC: 3-[(5-butanoyl-2,6-dihydroxy-3,3-dimethyl-4-oxocyclohexa-1,5-dien-1-yl)methyl]-6-propylpyran-2,4-dione.
Chemical Property Profile of Aspidinin
Property Insights of Aspidinin
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aspidinin. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Aspidinin. Following Lipinski's Rule of Five, Aspidinin has 2 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 Aspidinin?
The CAS number of Aspidinin is 19489-48-6.
What is the molecular formula of Aspidinin?
The molecular formula of Aspidinin is C21H26O7.
What is the molecular weight of Aspidinin?
The molecular weight of Aspidinin is 390.17 g/mol.
Where can I buy Aspidinin?
You can request a quote for Aspidinin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aspidinin?
Yes, KEHONG BIO provides custom synthesis services for Aspidinin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.