Paniculine
TL;DR: Paniculine (CAS 61328-14-1) is a chemical compound with molecular formula C24H39NO7 and molecular weight 453.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-ethyl-13-(hydroxymethyl)-4,6,18-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,9,16-triol
Also Known As: Gigactonine, Paniculine, Paniculine (Consolida), BAS 01832198, 11-ethyl-13-(hydroxymethyl)-4,6,18-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,9,16-triol
| Molecular Formula | C24H39NO7 |
|---|---|
| Molecular Weight | 453.27 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.27264 |
| Heavy Atoms | 32 |
| Complexity | 798.0 |
Chemical Identifiers
| CAS Number | 61328-14-1 |
|---|---|
| SMILES | CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6OC)OC)O)O)OC)O)CO |
| InChIKey | DKODPYKVVJKLFU-UHFFFAOYSA-N |
Product Overview
Paniculine (CAS 61328-14-1), with molecular formula C24H39NO7 and molecular weight 453.27 g/mol. IUPAC: 11-ethyl-13-(hydroxymethyl)-4,6,18-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,9,16-triol.
Chemical Property Profile of Paniculine
Property Insights of Paniculine
The XLogP value of -1.1 indicates that Paniculine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Paniculine. Following Lipinski's Rule of Five, Paniculine 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 Paniculine?
The CAS number of Paniculine is 61328-14-1.
What is the molecular formula of Paniculine?
The molecular formula of Paniculine is C24H39NO7.
What is the molecular weight of Paniculine?
The molecular weight of Paniculine is 453.27 g/mol.
Where can I buy Paniculine?
You can request a quote for Paniculine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Paniculine?
Yes, KEHONG BIO provides custom synthesis services for Paniculine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.