Tetrodotoxin, O(sup 4)-methyl-
TL;DR: Tetrodotoxin, O(sup 4)-methyl- (CAS 7724-39-2) is a chemical compound with molecular formula C12H19N3O8 and molecular weight 333.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,6R)-3-amino-13-(hydroxymethyl)-5-methoxy-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-9,12,13,14-tetrol
Also Known As: Methoxytetrodotoxin, 4-Methoxytetrodotoxin, Tetrodotoxin, O(sup 4)-methyl-, Tetrodotoxin, O4-methyl-, TETRODOTOXIN,O(SUP 4)-METHYL-
| Molecular Formula | C12H19N3O8 |
|---|---|
| Molecular Weight | 333.12 g/mol |
| LogP | -4.8 |
| Topological Polar Surface Area | 179.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.11722 |
| Heavy Atoms | 23 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 7724-39-2 |
|---|---|
| SMILES | CO[C@@H]1[C@H]2C3C(C4C(C2(C(C(O3)(O4)O)(CO)O)NC(=N1)N)O)O |
| InChIKey | SVOKHTHBCRETOQ-CNKCMGRGSA-N |
Product Overview
Tetrodotoxin, O(sup 4)-methyl- (CAS 7724-39-2), with molecular formula C12H19N3O8 and molecular weight 333.12 g/mol. IUPAC: (5R,6R)-3-amino-13-(hydroxymethyl)-5-methoxy-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-9,12,13,14-tetrol.
Chemical Property Profile of Tetrodotoxin, O(sup 4)-methyl-
Property Insights of Tetrodotoxin, O(sup 4)-methyl-
The XLogP value of -4.8 indicates that Tetrodotoxin, O(sup 4)-methyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 179.0 Ų indicates high polarity, suggesting Tetrodotoxin, O(sup 4)-methyl- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tetrodotoxin, O(sup 4)-methyl- has 7 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tetrodotoxin, O(sup 4)-methyl-?
The CAS number of Tetrodotoxin, O(sup 4)-methyl- is 7724-39-2.
What is the molecular formula of Tetrodotoxin, O(sup 4)-methyl-?
The molecular formula of Tetrodotoxin, O(sup 4)-methyl- is C12H19N3O8.
What is the molecular weight of Tetrodotoxin, O(sup 4)-methyl-?
The molecular weight of Tetrodotoxin, O(sup 4)-methyl- is 333.12 g/mol.
Where can I buy Tetrodotoxin, O(sup 4)-methyl-?
You can request a quote for Tetrodotoxin, O(sup 4)-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrodotoxin, O(sup 4)-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Tetrodotoxin, O(sup 4)-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.