6-(Methylamino)tetrodotoxin
TL;DR: 6-(Methylamino)tetrodotoxin (CAS 77889-75-9) is a chemical compound with molecular formula C11H18N4O6 and molecular weight 302.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-14-(methylamino)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-5,9,12,13-tetrol
Also Known As: 6-(Methylamino)tetrodotoxin
| Molecular Formula | C11H18N4O6 |
|---|---|
| Molecular Weight | 302.12 g/mol |
| LogP | -4.8 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 302.12262 |
| Heavy Atoms | 21 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 77889-75-9 |
|---|---|
| SMILES | CNC1C2C3C(N=C(NC34C(C1OC(C4O)(O2)O)O)N)O |
| InChIKey | XYPPAHPKKFYONS-UHFFFAOYSA-N |
Product Overview
6-(Methylamino)tetrodotoxin (CAS 77889-75-9), with molecular formula C11H18N4O6 and molecular weight 302.12 g/mol. IUPAC: 3-amino-14-(methylamino)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-5,9,12,13-tetrol.
Chemical Property Profile of 6-(Methylamino)tetrodotoxin
Property Insights of 6-(Methylamino)tetrodotoxin
The XLogP value of -4.8 indicates that 6-(Methylamino)tetrodotoxin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 162.0 Ų indicates high polarity, suggesting 6-(Methylamino)tetrodotoxin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-(Methylamino)tetrodotoxin 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 6-(Methylamino)tetrodotoxin?
The CAS number of 6-(Methylamino)tetrodotoxin is 77889-75-9.
What is the molecular formula of 6-(Methylamino)tetrodotoxin?
The molecular formula of 6-(Methylamino)tetrodotoxin is C11H18N4O6.
What is the molecular weight of 6-(Methylamino)tetrodotoxin?
The molecular weight of 6-(Methylamino)tetrodotoxin is 302.12 g/mol.
Where can I buy 6-(Methylamino)tetrodotoxin?
You can request a quote for 6-(Methylamino)tetrodotoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Methylamino)tetrodotoxin?
Yes, KEHONG BIO provides custom synthesis services for 6-(Methylamino)tetrodotoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.