11-Oxotetrodotoxin
TL;DR: 11-Oxotetrodotoxin (CAS 123665-88-3) is a chemical compound with molecular formula C11H17N3O9 and molecular weight 335.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-14-(dihydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-5,9,12,13,14-pentol
Also Known As: 11-Oxotetrodotoxin, 11-Oxo-tetrodotoxin, 11-Oxo-ttx, 11-Hydroxytetradotoxin, 11-Hydroxytetrodotoxin
| Molecular Formula | C11H17N3O9 |
|---|---|
| Molecular Weight | 335.10 g/mol |
| LogP | -6.2014 |
| Topological Polar Surface Area | 210.48 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 1 |
| Exact Mass | 335.09647 |
| Heavy Atoms | 23 |
| Complexity | 589.0896 |
Chemical Identifiers
| CAS Number | 123665-88-3 |
|---|---|
| SMILES | C12C3C(C4C(C1(C(C(O3)(O4)O)O)NC(=NC2O)N)O)(C(O)O)O |
Product Overview
11-Oxotetrodotoxin (CAS 123665-88-3), with molecular formula C11H17N3O9 and molecular weight 335.10 g/mol. IUPAC: 3-amino-14-(dihydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-5,9,12,13,14-pentol.
Chemical Property Profile of 11-Oxotetrodotoxin
Property Insights of 11-Oxotetrodotoxin
The XLogP value of -6.2014 indicates that 11-Oxotetrodotoxin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 210.48 Ų indicates high polarity, suggesting 11-Oxotetrodotoxin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 11-Oxotetrodotoxin has 9 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11-Oxotetrodotoxin?
The CAS number of 11-Oxotetrodotoxin is 123665-88-3.
What is the molecular formula of 11-Oxotetrodotoxin?
The molecular formula of 11-Oxotetrodotoxin is C11H17N3O9.
What is the molecular weight of 11-Oxotetrodotoxin?
The molecular weight of 11-Oxotetrodotoxin is 335.10 g/mol.
Where can I buy 11-Oxotetrodotoxin?
You can request a quote for 11-Oxotetrodotoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-Oxotetrodotoxin?
Yes, KEHONG BIO provides custom synthesis services for 11-Oxotetrodotoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.