((2-Nitro-4-azidophenyl)ethylenediamine)tetrodotoxin
TL;DR: ((2-Nitro-4-azidophenyl)ethylenediamine)tetrodotoxin (CAS 78995-69-4) is a chemical compound with molecular formula C19H25N9O9 and molecular weight 523.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-14-[[2-(4-azido-2-nitroanilino)ethylamino]methyl]-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: ((2-Nitro-4-azidophenyl)ethylenediamine)tetrodotoxin, Tetrodotoxin, 11-deoxy-11-((2-((4-azido-2-nitrophenyl)amino)ethyl)amino)-
| Molecular Formula | C19H25N9O9 |
|---|---|
| Molecular Weight | 523.18 g/mol |
| LogP | -2.9604 |
| Topological Polar Surface Area | 285.98 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 523.17755 |
| Heavy Atoms | 37 |
| Complexity | 1197.55 |
Chemical Identifiers
| CAS Number | 78995-69-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1N=[N+]=[N-])[N+](=O)[O-])NCCNCC2(C3C4C(N=C(NC45C(C2OC(C5O)(O3)O)O)N)O)O |
Product Overview
((2-Nitro-4-azidophenyl)ethylenediamine)tetrodotoxin (CAS 78995-69-4), with molecular formula C19H25N9O9 and molecular weight 523.18 g/mol. IUPAC: 3-amino-14-[[2-(4-azido-2-nitroanilino)ethylamino]methyl]-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 ((2-Nitro-4-azidophenyl)ethylenediamine)tetrodotoxin
Property Insights of ((2-Nitro-4-azidophenyl)ethylenediamine)tetrodotoxin
The XLogP value of -2.9604 indicates that ((2-Nitro-4-azidophenyl)ethylenediamine)tetrodotoxin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 285.98 Ų indicates high polarity, suggesting ((2-Nitro-4-azidophenyl)ethylenediamine)tetrodotoxin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ((2-Nitro-4-azidophenyl)ethylenediamine)tetrodotoxin has 9 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ((2-Nitro-4-azidophenyl)ethylenediamine)tetrodotoxin?
The CAS number of ((2-Nitro-4-azidophenyl)ethylenediamine)tetrodotoxin is 78995-69-4.
What is the molecular formula of ((2-Nitro-4-azidophenyl)ethylenediamine)tetrodotoxin?
The molecular formula of ((2-Nitro-4-azidophenyl)ethylenediamine)tetrodotoxin is C19H25N9O9.
What is the molecular weight of ((2-Nitro-4-azidophenyl)ethylenediamine)tetrodotoxin?
The molecular weight of ((2-Nitro-4-azidophenyl)ethylenediamine)tetrodotoxin is 523.18 g/mol.
Where can I buy ((2-Nitro-4-azidophenyl)ethylenediamine)tetrodotoxin?
You can request a quote for ((2-Nitro-4-azidophenyl)ethylenediamine)tetrodotoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((2-Nitro-4-azidophenyl)ethylenediamine)tetrodotoxin?
Yes, KEHONG BIO provides custom synthesis services for ((2-Nitro-4-azidophenyl)ethylenediamine)tetrodotoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.