河魨毒素
TL;DR: 河魨毒素 (CAS 4368-28-9) is a chemical compound with molecular formula C11H17N3O8 and molecular weight 319.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
河魨毒素
(11S,13S)-3-amino-5,12,13,14-tetrahydroxy-14-(hydroxymethyl)-8,10-dioxa-2-aza-4-azoniatetracyclo[7.3.1.17,11.01,6]tetradec-3-en-9-olate
Also Known As: TETRODOTOXIN, Jfsphboejcaizlginkjttssk~, (11S,13S)-3-Amino-5,12,13,14-tetrahydroxy-14-(hydroxymethyl)-8,10-dioxa-2-aza-4-azoniatetracyclo[7.3.1.17,11.01,6]tetradec-3-en-9-olate, TTX
| Molecular Formula | C11H17N3O8 |
|---|---|
| Molecular Weight | 319.10 g/mol |
| LogP | -4.8 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 319.10156 |
| Heavy Atoms | 22 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 4368-28-9 |
|---|---|
| SMILES | C(C1([C@@H]2C(C34[C@@H](C(O2)(OC1C3C([NH+]=C(N4)N)O)[O-])O)O)O)O |
| InChIKey | SLBCPBUVHCASIJ-UFHSVNPDSA-O |
Product Overview
河魨毒素 (CAS 4368-28-9), with molecular formula C11H17N3O8 and molecular weight 319.10 g/mol. IUPAC: (11S,13S)-3-amino-5,12,13,14-tetrahydroxy-14-(hydroxymethyl)-8,10-dioxa-2-aza-4-azoniatetracyclo[7.3.1.17,11.01,6]tetradec-3-en-9-olate.
Chemical Property Profile of 河魨毒素
Property Insights of 河魨毒素
The XLogP value of -4.8 indicates that 河魨毒素 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 195.0 Ų indicates high polarity, suggesting 河魨毒素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 河魨毒素 has 8 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 河魨毒素?
The CAS number of 河魨毒素 is 4368-28-9.
What is the molecular formula of 河魨毒素?
The molecular formula of 河魨毒素 is C11H17N3O8.
What is the molecular weight of 河魨毒素?
The molecular weight of 河魨毒素 is 319.10 g/mol.
Where can I buy 河魨毒素?
You can request a quote for 河魨毒素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 河魨毒素?
Yes, KEHONG BIO provides custom synthesis services for 河魨毒素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.