Stachyurin
TL;DR: Stachyurin (CAS 81739-27-7) 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.
[10-(2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl] 3,4,5-trihydroxybenzoate
Also Known As: Casuarinin, Stachyurin, Stachyurin
| Molecular Formula | C41H28O26 |
|---|---|
| Molecular Weight | 936.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 455.0 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 4 |
| Exact Mass | 936.08685 |
| Heavy Atoms | 67 |
| Complexity | 1880.0 |
Chemical Identifiers
| CAS Number | 81739-27-7 |
|---|---|
| SMILES | C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)C4C5C(C6=C(C(=C(C(=C6C(=O)O5)C7=C(C(=C(C=C7C(=O)O4)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O |
| InChIKey | MMQXBTULXAEKQE-UHFFFAOYSA-N |
Product Overview
Stachyurin (CAS 81739-27-7), with molecular formula C41H28O26 and molecular weight 936.09 g/mol. IUPAC: [10-(2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl] 3,4,5-trihydroxybenzoate.
Chemical Property Profile of Stachyurin
Property Insights of Stachyurin
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Stachyurin. The TPSA of 455.0 Ų indicates high polarity, suggesting Stachyurin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Stachyurin has 16 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 Stachyurin?
The CAS number of Stachyurin is 81739-27-7.
What is the molecular formula of Stachyurin?
The molecular formula of Stachyurin is C41H28O26.
What is the molecular weight of Stachyurin?
The molecular weight of Stachyurin is 936.09 g/mol.
Where can I buy Stachyurin?
You can request a quote for Stachyurin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Stachyurin?
Yes, KEHONG BIO provides custom synthesis services for Stachyurin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.