鹦嘴鱼毒素
TL;DR: 鹦嘴鱼毒素 (CAS 66231-73-0) is a chemical compound with molecular formula C60H84O16 and molecular weight 1060.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
鹦嘴鱼毒素
(1R,3S,6R,8S,10R,12S,16R,18R,19R,20S,22R,25S,27R,29E,32S,34R,36S,38R,40S,42R,43S,44S,45S,47S,48S,49S,50R,52S,54R,56R,58S,59R)-16-[(1E)-buta-1,3-dienyl]-43,44,49,54,58-pentamethylspiro[2,7,11,17,21,26,33,37,41,46,51,57-dodecaoxadodecacyclo[30.28.0.03,27.06,25.08,22.010,20.012,18.034,58.036,56.038,52.040,50.042,47]hexaconta-4,14,23,29-tetraene-45,2'-oxolane]-19,48,59-triol
Also Known As: Scaritoxin, Ciguatoxin 4A, CTX 4A, CTX4A, TOXIN SG1
| Molecular Formula | C60H84O16 |
|---|---|
| Molecular Weight | 1060.58 g/mol |
| LogP | 5.8284 |
| Topological Polar Surface Area | 180.68 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 2 |
| Exact Mass | 1060.5759 |
| Heavy Atoms | 76 |
| Complexity | 2229.799 |
Chemical Identifiers
| CAS Number | 66231-73-0 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H](C[C@H]3[C@H](O2)[C@H]([C@@H]([C@H]4[C@H](O3)[C@H]([C@@H]([C@@]5(O4)CCCO5)C)C)O)C)O[C@H]6C[C@@H]7[C@]([C@@H](C[C@@H]8[C@@H](O7)C/C=C/C[C@@H]9[C@@H](O8)C=C[C@@H]2[C@@H](O9)C=C[C@@H]3[C@@H](O2)C[C@@H]2[C@@H](O3)[C@@H]([C@@H]3[C@@H](O2)CC=C[C@@H](O3)/C=C/C=C)O)O)(O[C@@H]6C1)C |
Product Overview
鹦嘴鱼毒素 (CAS 66231-73-0), with molecular formula C60H84O16 and molecular weight 1060.58 g/mol. IUPAC: (1R,3S,6R,8S,10R,12S,16R,18R,19R,20S,22R,25S,27R,29E,32S,34R,36S,38R,40S,42R,43S,44S,45S,47S,48S,49S,50R,52S,54R,56R,58S,59R)-16-[(1E)-buta-1,3-dienyl]-43,44,49,54,58-pentamethylspiro[2,7,11,17,21,26,33,37,41,46,51,57-dodecaoxadodecacyclo[30.28.0.03,27.06,25.08,22.010,20.012,18.034,58.036,56.038,52.040,50.042,47]hexaconta-4,14,23,29-tetraene-45,2'-oxolane]-19,48,59-triol.
Chemical Property Profile of 鹦嘴鱼毒素
Property Insights of 鹦嘴鱼毒素
The XLogP value of 5.8284 indicates that 鹦嘴鱼毒素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 180.68 Ų indicates high polarity, suggesting 鹦嘴鱼毒素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 鹦嘴鱼毒素 has 3 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 鹦嘴鱼毒素?
The CAS number of 鹦嘴鱼毒素 is 66231-73-0.
What is the molecular formula of 鹦嘴鱼毒素?
The molecular formula of 鹦嘴鱼毒素 is C60H84O16.
What is the molecular weight of 鹦嘴鱼毒素?
The molecular weight of 鹦嘴鱼毒素 is 1060.58 g/mol.
Where can I buy 鹦嘴鱼毒素?
You can request a quote for 鹦嘴鱼毒素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 鹦嘴鱼毒素?
Yes, KEHONG BIO provides custom synthesis services for 鹦嘴鱼毒素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.