Tetrodotoxin, O(sup 5)-ethyl-
TL;DR: Tetrodotoxin, O(sup 5)-ethyl- (CAS 7724-40-5) is a chemical compound with molecular formula C13H21N3O8 and molecular weight 347.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-5-ethoxy-13-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-9,12,13,14-tetrol
Also Known As: 4-Ethoxytetrodotoxin, Ethoxytetrodotoxin, Tetrodotoxin, O(sup 5)-ethyl-, RefChem:1099761, BRN 4158024
| Molecular Formula | C13H21N3O8 |
|---|---|
| Molecular Weight | 347.13 g/mol |
| LogP | -4.5 |
| Topological Polar Surface Area | 179.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.13287 |
| Heavy Atoms | 24 |
| Complexity | 592.0 |
Chemical Identifiers
| CAS Number | 7724-40-5 |
|---|---|
| SMILES | CCOC1C2C3C(C4C(C2(C(C(O3)(O4)O)(CO)O)NC(=N1)N)O)O |
| InChIKey | ZBBDZQZEBJCIRR-UHFFFAOYSA-N |
Product Overview
Tetrodotoxin, O(sup 5)-ethyl- (CAS 7724-40-5), with molecular formula C13H21N3O8 and molecular weight 347.13 g/mol. IUPAC: 3-amino-5-ethoxy-13-(hydroxymethyl)-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 5)-ethyl-
Property Insights of Tetrodotoxin, O(sup 5)-ethyl-
The XLogP value of -4.5 indicates that Tetrodotoxin, O(sup 5)-ethyl- 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 5)-ethyl- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tetrodotoxin, O(sup 5)-ethyl- 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 5)-ethyl-?
The CAS number of Tetrodotoxin, O(sup 5)-ethyl- is 7724-40-5.
What is the molecular formula of Tetrodotoxin, O(sup 5)-ethyl-?
The molecular formula of Tetrodotoxin, O(sup 5)-ethyl- is C13H21N3O8.
What is the molecular weight of Tetrodotoxin, O(sup 5)-ethyl-?
The molecular weight of Tetrodotoxin, O(sup 5)-ethyl- is 347.13 g/mol.
Where can I buy Tetrodotoxin, O(sup 5)-ethyl-?
You can request a quote for Tetrodotoxin, O(sup 5)-ethyl- 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 5)-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for Tetrodotoxin, O(sup 5)-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.