asebotoxin III
TL;DR: asebotoxin III (CAS 28894-73-7) is a chemical compound with molecular formula C23H36O8 and molecular weight 440.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4,10,15-tetrahydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecan-17-yl) 2-hydroxypropanoate
Also Known As: Asebotoxin III, acebotoxin III, 5,6,10,16-tetrahydroxy-2,3-epoxygrayanotoxan-14-yl 2-hydroxypropanoate, (3,4,10,15-tetrahydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecan-17-yl) 2-hydroxypropanoate, Grayanotoxane-5,6,10,14,16-pentol, 2,3-epoxy-, 14-(2-hydroxypropanoate), (2beta,3beta,6beta,14R)-
| Molecular Formula | C23H36O8 |
|---|---|
| Molecular Weight | 440.24 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 440.24103 |
| Heavy Atoms | 31 |
| Complexity | 815.0 |
Chemical Identifiers
| CAS Number | 28894-73-7 |
|---|---|
| SMILES | CC(C(=O)OC1C2CCC3C1(CC(C4(C(C3(C)O)C5C(C4(C)C)O5)O)O)CC2(C)O)O |
| InChIKey | PTPFNNBWQYPEKV-UHFFFAOYSA-N |
Product Overview
asebotoxin III (CAS 28894-73-7), with molecular formula C23H36O8 and molecular weight 440.24 g/mol. IUPAC: (3,4,10,15-tetrahydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecan-17-yl) 2-hydroxypropanoate.
Chemical Property Profile of asebotoxin III
Property Insights of asebotoxin III
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for asebotoxin III. The TPSA of 140.0 Ų indicates high polarity, suggesting asebotoxin III may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, asebotoxin III has 5 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 asebotoxin III?
The CAS number of asebotoxin III is 28894-73-7.
What is the molecular formula of asebotoxin III?
The molecular formula of asebotoxin III is C23H36O8.
What is the molecular weight of asebotoxin III?
The molecular weight of asebotoxin III is 440.24 g/mol.
Where can I buy asebotoxin III?
You can request a quote for asebotoxin III directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for asebotoxin III?
Yes, KEHONG BIO provides custom synthesis services for asebotoxin III and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.