(3H)-Lysine-tetrodotoxin
TL;DR: (3H)-Lysine-tetrodotoxin (CAS 73600-92-7) is a chemical compound with molecular formula C17H29N5O9 and molecular weight 447.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-2-[(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]hexanoic acid
Also Known As: (3H)-Lysine-tetrodotoxin, Tetrodotoxin, 11-((5-amino-1-carboxypentyl)amino)-11-deoxy-, labeled with tritium, (11(S))-, 2(3H)-BENZOXAZOLONE, 5-CHLORO-3-(PHENYL-1-PIPERIDINYLMETHYL)-
| Molecular Formula | C17H29N5O9 |
|---|---|
| Molecular Weight | 447.20 g/mol |
| LogP | -8.2 |
| Topological Polar Surface Area | 245.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 447.19653 |
| Heavy Atoms | 31 |
| Complexity | 772.0 |
Chemical Identifiers
| CAS Number | 73600-92-7 |
|---|---|
| SMILES | C(CCN)CC(C(=O)O)NCC1(C2C3C(N=C(NC34C(C1OC(C4O)(O2)O)O)N)O)O |
| InChIKey | HWSLFZJGCNRKJA-UHFFFAOYSA-N |
Product Overview
(3H)-Lysine-tetrodotoxin (CAS 73600-92-7), with molecular formula C17H29N5O9 and molecular weight 447.20 g/mol. IUPAC: 6-amino-2-[(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]hexanoic acid.
Chemical Property Profile of (3H)-Lysine-tetrodotoxin
Property Insights of (3H)-Lysine-tetrodotoxin
The XLogP value of -8.2 indicates that (3H)-Lysine-tetrodotoxin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 245.0 Ų indicates high polarity, suggesting (3H)-Lysine-tetrodotoxin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (3H)-Lysine-tetrodotoxin has 10 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3H)-Lysine-tetrodotoxin?
The CAS number of (3H)-Lysine-tetrodotoxin is 73600-92-7.
What is the molecular formula of (3H)-Lysine-tetrodotoxin?
The molecular formula of (3H)-Lysine-tetrodotoxin is C17H29N5O9.
What is the molecular weight of (3H)-Lysine-tetrodotoxin?
The molecular weight of (3H)-Lysine-tetrodotoxin is 447.20 g/mol.
Where can I buy (3H)-Lysine-tetrodotoxin?
You can request a quote for (3H)-Lysine-tetrodotoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3H)-Lysine-tetrodotoxin?
Yes, KEHONG BIO provides custom synthesis services for (3H)-Lysine-tetrodotoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.