Tetrodotoxin, 4-deoxy-
TL;DR: Tetrodotoxin, 4-deoxy- (CAS 7724-41-6) is a chemical compound with molecular formula C11H17N3O7 and molecular weight 303.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R)-3-amino-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: Deoxytetrodotoxin, Desoxytetrodotoxin, Tetrodotoxin, 4-deoxy-, RefChem:1099759, BRN 4154620
| Molecular Formula | C11H17N3O7 |
|---|---|
| Molecular Weight | 303.11 g/mol |
| LogP | -4.8 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 303.10666 |
| Heavy Atoms | 21 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 7724-41-6 |
|---|---|
| SMILES | C1[C@H]2C3C(C4C(C2(C(C(O3)(O4)O)(CO)O)NC(=N1)N)O)O |
| InChIKey | COVOMQKTVSVWBZ-CJCGOCGYSA-N |
Product Overview
Tetrodotoxin, 4-deoxy- (CAS 7724-41-6), with molecular formula C11H17N3O7 and molecular weight 303.11 g/mol. IUPAC: (6R)-3-amino-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, 4-deoxy-
Property Insights of Tetrodotoxin, 4-deoxy-
The XLogP value of -4.8 indicates that Tetrodotoxin, 4-deoxy- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 170.0 Ų indicates high polarity, suggesting Tetrodotoxin, 4-deoxy- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tetrodotoxin, 4-deoxy- has 7 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tetrodotoxin, 4-deoxy-?
The CAS number of Tetrodotoxin, 4-deoxy- is 7724-41-6.
What is the molecular formula of Tetrodotoxin, 4-deoxy-?
The molecular formula of Tetrodotoxin, 4-deoxy- is C11H17N3O7.
What is the molecular weight of Tetrodotoxin, 4-deoxy-?
The molecular weight of Tetrodotoxin, 4-deoxy- is 303.11 g/mol.
Where can I buy Tetrodotoxin, 4-deoxy-?
You can request a quote for Tetrodotoxin, 4-deoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrodotoxin, 4-deoxy-?
Yes, KEHONG BIO provides custom synthesis services for Tetrodotoxin, 4-deoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.