木藜芦毒素III
TL;DR: 木藜芦毒素III (CAS 4678-45-9) is a chemical compound with molecular formula C20H34O6 and molecular weight 370.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
木藜芦毒素III
5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,9,14,16-hexol
Also Known As: Andromedol, grayanotoxin III, Deacylasebotoxin I, Deacetylandromedotoxin, Grayanotoxane-3,5,6,10,14,16-hexol
| Molecular Formula | C20H34O6 |
|---|---|
| Molecular Weight | 370.24 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 370.23553 |
| Heavy Atoms | 26 |
| Complexity | 623.0 |
Chemical Identifiers
| CAS Number | 4678-45-9 |
|---|---|
| SMILES | CC1(C(CC2C1(C(CC34CC(C(C3O)CCC4C2(C)O)(C)O)O)O)O)C |
| InChIKey | BWMFRQKICHXLSH-UHFFFAOYSA-N |
Product Overview
木藜芦毒素III (CAS 4678-45-9), with molecular formula C20H34O6 and molecular weight 370.24 g/mol. IUPAC: 5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,9,14,16-hexol.
Chemical Property Profile of 木藜芦毒素III
Property Insights of 木藜芦毒素III
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 木藜芦毒素III. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 木藜芦毒素III. Following Lipinski's Rule of Five, 梫木毒素III has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 梫木毒素III?
The CAS number of 梫木毒素III is 4678-45-9.
What is the molecular formula of 梫木毒素III?
The molecular formula of 梫木毒素III is C20H34O6.
What is the molecular weight of 梫木毒素III?
The molecular weight of 梫木毒素III is 370.24 g/mol.
Where can I buy 梫木毒素III?
You can request a quote for 梫木毒素III directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 梫木毒素III?
Yes, KEHONG BIO provides custom synthesis services for 梫木毒素III and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.