N,N-乙二胺双河豚毒素
TL;DR: N,N-乙二胺双河豚毒素 (CAS 91260-89-8) is a chemical compound with molecular formula C24H38N8O14 and molecular weight 662.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-乙二胺双河豚毒素
3-amino-14-[[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]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: N,N'-Edadt, N,N'-Ethylenediamineditetrodotoxin, Tetrodotoxin, 11,11'-(1,2-ethanediyldiimino)bis(11-deoxy-, (E)-, Tetrodotoxin,11,11'-(1,2-ethanediyldiimino)bis(11-deoxy-,(E), 3-amino-14-[[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]ethylamino]methyl]-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-5,9,12,13,14-pentol
| Molecular Formula | C24H38N8O14 |
|---|---|
| Molecular Weight | 662.25 g/mol |
| LogP | -11.6 |
| Topological Polar Surface Area | 364.0 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 7 |
| Exact Mass | 662.25073 |
| Heavy Atoms | 46 |
| Complexity | 1280.0 |
Chemical Identifiers
| CAS Number | 91260-89-8 |
|---|---|
| SMILES | C(CNCC1(C2C3C(N=C(NC34C(C1OC(C4O)(O2)O)O)N)O)O)NCC5(C6C7C(N=C(NC78C(C5OC(C8O)(O6)O)O)N)O)O |
| InChIKey | LUEUEDMKQXQXQD-UHFFFAOYSA-N |
Product Overview
N,N-乙二胺双河豚毒素 (CAS 91260-89-8), with molecular formula C24H38N8O14 and molecular weight 662.25 g/mol. IUPAC: 3-amino-14-[[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]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 N,N-乙二胺双河豚毒素
Property Insights of N,N-乙二胺双河豚毒素
The XLogP value of -11.6 indicates that N,N-乙二胺双河豚毒素 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 364.0 Ų indicates high polarity, suggesting N,N-乙二胺双河豚毒素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N-乙二胺双河豚毒素 has 16 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N-乙二胺双河豚毒素?
The CAS number of N,N-乙二胺双河豚毒素 is 91260-89-8.
What is the molecular formula of N,N-乙二胺双河豚毒素?
The molecular formula of N,N-乙二胺双河豚毒素 is C24H38N8O14.
What is the molecular weight of N,N-乙二胺双河豚毒素?
The molecular weight of N,N-乙二胺双河豚毒素 is 662.25 g/mol.
Where can I buy N,N-乙二胺双河豚毒素?
You can request a quote for N,N-乙二胺双河豚毒素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-乙二胺双河豚毒素?
Yes, KEHONG BIO provides custom synthesis services for N,N-乙二胺双河豚毒素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.