((2-Nitro-4-azidophenyl)lysine)tetrodotoxin
TL;DR: ((2-Nitro-4-azidophenyl)lysine)tetrodotoxin (CAS 78995-68-3) is a chemical compound with molecular formula C23H31N9O11 and molecular weight 609.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(3-amino-5,9,12,13,14-pentahydroxy-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-en-14-yl)methylamino]-2-(4-azido-2-nitroanilino)hexanoic acid
Also Known As: ((2-Nitro-4-azidophenyl)lysine)tetrodotoxin, Tetrodotoxin, 11-((5-((4-azido-2-nitrophenyl)amino)-5-carboxypentyl)amino)-11-deoxy-, (11(S))-
| Molecular Formula | C23H31N9O11 |
|---|---|
| Molecular Weight | 609.21 g/mol |
| LogP | -2.3369 |
| Topological Polar Surface Area | 323.28 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 12 |
| Exact Mass | 609.2143 |
| Heavy Atoms | 43 |
| Complexity | 1377.9476 |
Chemical Identifiers
| CAS Number | 78995-68-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1N=[N+]=[N-])[N+](=O)[O-])NC(CCCCNCC2(C3C4C(N=C(NC45C(C2OC(C5O)(O3)O)O)N)O)O)C(=O)O |
Product Overview
((2-Nitro-4-azidophenyl)lysine)tetrodotoxin (CAS 78995-68-3), with molecular formula C23H31N9O11 and molecular weight 609.21 g/mol. IUPAC: 6-[(3-amino-5,9,12,13,14-pentahydroxy-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-en-14-yl)methylamino]-2-(4-azido-2-nitroanilino)hexanoic acid.
Chemical Property Profile of ((2-Nitro-4-azidophenyl)lysine)tetrodotoxin
Property Insights of ((2-Nitro-4-azidophenyl)lysine)tetrodotoxin
The XLogP value of -2.3369 indicates that ((2-Nitro-4-azidophenyl)lysine)tetrodotoxin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 323.28 Ų indicates high polarity, suggesting ((2-Nitro-4-azidophenyl)lysine)tetrodotoxin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ((2-Nitro-4-azidophenyl)lysine)tetrodotoxin has 10 hydrogen bond donor(s) and 16 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)lysine)tetrodotoxin?
The CAS number of ((2-Nitro-4-azidophenyl)lysine)tetrodotoxin is 78995-68-3.
What is the molecular formula of ((2-Nitro-4-azidophenyl)lysine)tetrodotoxin?
The molecular formula of ((2-Nitro-4-azidophenyl)lysine)tetrodotoxin is C23H31N9O11.
What is the molecular weight of ((2-Nitro-4-azidophenyl)lysine)tetrodotoxin?
The molecular weight of ((2-Nitro-4-azidophenyl)lysine)tetrodotoxin is 609.21 g/mol.
Where can I buy ((2-Nitro-4-azidophenyl)lysine)tetrodotoxin?
You can request a quote for ((2-Nitro-4-azidophenyl)lysine)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)lysine)tetrodotoxin?
Yes, KEHONG BIO provides custom synthesis services for ((2-Nitro-4-azidophenyl)lysine)tetrodotoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.