Tetrodotoxin, 4-amino-4-deoxy-, (4-alpha)-
TL;DR: Tetrodotoxin, 4-amino-4-deoxy-, (4-alpha)- (CAS 7724-38-1) is a chemical compound with molecular formula C11H18N4O7 and molecular weight 318.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-diamino-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: Tetrodaminotoxin, Tetrodotoxin, 4-amino-4-deoxy-, (4-alpha)-, RefChem:1099758
| Molecular Formula | C11H18N4O7 |
|---|---|
| Molecular Weight | 318.12 g/mol |
| LogP | -5.6 |
| Topological Polar Surface Area | 196.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 318.11755 |
| Heavy Atoms | 22 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 7724-38-1 |
|---|---|
| SMILES | C(C1(C23C(C4C(C(C2O)OC1(O4)O)O)C(N=C(N3)N)N)O)O |
| InChIKey | RZEZZMTUAUQGFF-UHFFFAOYSA-N |
Product Overview
Tetrodotoxin, 4-amino-4-deoxy-, (4-alpha)- (CAS 7724-38-1), with molecular formula C11H18N4O7 and molecular weight 318.12 g/mol. IUPAC: 3,5-diamino-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-amino-4-deoxy-, (4-alpha)-
Property Insights of Tetrodotoxin, 4-amino-4-deoxy-, (4-alpha)-
The XLogP value of -5.6 indicates that Tetrodotoxin, 4-amino-4-deoxy-, (4-alpha)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 196.0 Ų indicates high polarity, suggesting Tetrodotoxin, 4-amino-4-deoxy-, (4-alpha)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tetrodotoxin, 4-amino-4-deoxy-, (4-alpha)- has 8 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, 4-amino-4-deoxy-, (4-alpha)-?
The CAS number of Tetrodotoxin, 4-amino-4-deoxy-, (4-alpha)- is 7724-38-1.
What is the molecular formula of Tetrodotoxin, 4-amino-4-deoxy-, (4-alpha)-?
The molecular formula of Tetrodotoxin, 4-amino-4-deoxy-, (4-alpha)- is C11H18N4O7.
What is the molecular weight of Tetrodotoxin, 4-amino-4-deoxy-, (4-alpha)-?
The molecular weight of Tetrodotoxin, 4-amino-4-deoxy-, (4-alpha)- is 318.12 g/mol.
Where can I buy Tetrodotoxin, 4-amino-4-deoxy-, (4-alpha)-?
You can request a quote for Tetrodotoxin, 4-amino-4-deoxy-, (4-alpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrodotoxin, 4-amino-4-deoxy-, (4-alpha)-?
Yes, KEHONG BIO provides custom synthesis services for Tetrodotoxin, 4-amino-4-deoxy-, (4-alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.