Isariin
TL;DR: Isariin (CAS 10409-85-5) is a chemical compound with molecular formula C33H59N5O7 and molecular weight 637.44147 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,6S,9R,12S,19R)-6-methyl-9-(2-methylpropyl)-19-nonyl-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
Also Known As: Isariin, Isarolide, Isariin B, Isariin C, Isariin D
Technical Specifications
| Molecular Formula | C33H59N5O7 |
| Molecular Weight | 637.44147 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 172.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 637.44147 Da |
| Heavy Atoms | 45 |
| Complexity | 984.0 |
| SMILES | CCCCCCCCC[C@@H]1CC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O1)C(C)C)C)CC(C)C)C(C)C |
| InChIKey | KIJLRIARMCGDJZ-YSWCBTLJSA-N |
Chemical Property Profile of Isariin
Property Insights of Isariin
The XLogP value of 6.0 indicates that Isariin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 172.0 Ų indicates high polarity, suggesting Isariin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isariin has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Isariin?
The CAS number of Isariin is 10409-85-5.
What is the molecular formula of Isariin?
The molecular formula of Isariin is C33H59N5O7.
What is the molecular weight of Isariin?
The molecular weight of Isariin is 637.44147 g/mol.
Where can I buy Isariin?
You can request a quote for Isariin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isariin?
Yes, CoreyChem provides custom synthesis services for Isariin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.