Ciguatoxin 3C
TL;DR: Ciguatoxin 3C (CAS 148471-85-6) is a chemical compound with molecular formula C57H82O16 and molecular weight 1022.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3S,7R,9S,11R,13S,19R,20R,21S,23R,26S,28R,33S,35R,37S,39R,41S,43R,44S,45S,46R,48S,49S,50S,51R,53S,55R,57R,59S,60S)-44,45,50,55,59-pentamethylspiro[2,8,12,18,22,27,34,38,42,47,52,58-dodecaoxadodecacyclo[31.28.0.03,28.07,26.09,23.011,21.013,19.035,59.037,57.039,53.041,51.043,48]henhexaconta-4,15,24,30-tetraene-46,2'-oxolane]-20,49,60-triol
Also Known As: Ciguatoxin 3C
| Molecular Formula | C57H82O16 |
|---|---|
| Molecular Weight | 1022.56 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 0 |
| Exact Mass | 1022.5603 |
| Heavy Atoms | 73 |
| Complexity | 2090.0 |
Chemical Identifiers
| CAS Number | 148471-85-6 |
|---|---|
| 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)CC=CC[C@@H]9[C@@H](O8)C=CC[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=CCO3)O)O)(O[C@@H]6C1)C |
| InChIKey | BFXGFCYTZARNGN-JBMMNXBFSA-N |
Product Overview
Ciguatoxin 3C (CAS 148471-85-6), with molecular formula C57H82O16 and molecular weight 1022.56 g/mol. IUPAC: (1R,3S,7R,9S,11R,13S,19R,20R,21S,23R,26S,28R,33S,35R,37S,39R,41S,43R,44S,45S,46R,48S,49S,50S,51R,53S,55R,57R,59S,60S)-44,45,50,55,59-pentamethylspiro[2,8,12,18,22,27,34,38,42,47,52,58-dodecaoxadodecacyclo[31.28.0.03,28.07,26.09,23.011,21.013,19.035,59.037,57.039,53.041,51.043,48]henhexaconta-4,15,24,30-tetraene-46,2'-oxolane]-20,49,60-triol.
Chemical Property Profile of Ciguatoxin 3C
Property Insights of Ciguatoxin 3C
The XLogP value of 4.7 indicates that Ciguatoxin 3C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 181.0 Ų indicates high polarity, suggesting Ciguatoxin 3C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ciguatoxin 3C 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 Ciguatoxin 3C?
The CAS number of Ciguatoxin 3C is 148471-85-6.
What is the molecular formula of Ciguatoxin 3C?
The molecular formula of Ciguatoxin 3C is C57H82O16.
What is the molecular weight of Ciguatoxin 3C?
The molecular weight of Ciguatoxin 3C is 1022.56 g/mol.
Where can I buy Ciguatoxin 3C?
You can request a quote for Ciguatoxin 3C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ciguatoxin 3C?
Yes, KEHONG BIO provides custom synthesis services for Ciguatoxin 3C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.