Casuarictin
TL;DR: Casuarictin (CAS 79786-00-8) is a chemical compound with molecular formula C41H28O26 and molecular weight 936.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2S,19R,20S,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl] 3,4,5-trihydroxybenzoate
Also Known As: Casuarictin, Sanguiin H 11, casuaricitin, cuspinin, Sanguiin H-11
| Molecular Formula | C41H28O26 |
|---|---|
| Molecular Weight | 936.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 444.0 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 3 |
| Exact Mass | 936.08685 |
| Heavy Atoms | 67 |
| Complexity | 1860.0 |
Chemical Identifiers
| CAS Number | 79786-00-8 |
|---|---|
| SMILES | C1[C@@H]2[C@H]([C@H]3[C@H]([C@@H](O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O |
| InChIKey | SWRFKGRMQVLMKA-JIZJWZDPSA-N |
Product Overview
Casuarictin (CAS 79786-00-8), with molecular formula C41H28O26 and molecular weight 936.09 g/mol. IUPAC: [(1R,2S,19R,20S,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl] 3,4,5-trihydroxybenzoate.
Chemical Property Profile of Casuarictin
Property Insights of Casuarictin
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Casuarictin. The TPSA of 444.0 Ų indicates high polarity, suggesting Casuarictin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Casuarictin has 15 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Casuarictin?
The CAS number of Casuarictin is 79786-00-8.
What is the molecular formula of Casuarictin?
The molecular formula of Casuarictin is C41H28O26.
What is the molecular weight of Casuarictin?
The molecular weight of Casuarictin is 936.09 g/mol.
Where can I buy Casuarictin?
You can request a quote for Casuarictin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Casuarictin?
Yes, KEHONG BIO provides custom synthesis services for Casuarictin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.