Isotetrahydrohistrionicotoxin
TL;DR: Isotetrahydrohistrionicotoxin (CAS 55522-87-7) is a chemical compound with molecular formula C19H29NO and molecular weight 287.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,11S)-11-[(1E)-buta-1,3-dienyl]-2-penta-3,4-dienyl-1-azaspiro[5.5]undecan-10-ol
Also Known As: Isotetrahydrohistrionicotoxin, Isotetrahydrohistrionicotoxin 287a, 1-Azaspiro(5.5)undecan-8-ol, 7-(1,3-butadienyl)-2-(3,4-pentadienyl)-, (6R-(6alpha(S*),7beta(Z),8alpha))-, 7-(1,3-Butadienyl)-2-(3,4-pentadienyl)-1-azaspiro(5.5)undecan-8-ol (6R-(6alpha(S*),7beta(Z),8alpha))-, (4S,11S)-11-[(1E)-buta-1,3-dienyl]-4-penta-3,4-dienyl-5-azaspiro[5.5]undecan-10-ol
| Molecular Formula | C19H29NO |
|---|---|
| Molecular Weight | 287.22 g/mol |
| LogP | 3.8918 |
| Topological Polar Surface Area | 32.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.2249 |
| Heavy Atoms | 21 |
| Complexity | 417.2823 |
Chemical Identifiers
| CAS Number | 55522-87-7 |
|---|---|
| SMILES | C=C/C=C/[C@@H]1C(CCCC12CCC[C@H](N2)CCC=C=C)O |
Product Overview
Isotetrahydrohistrionicotoxin (CAS 55522-87-7), with molecular formula C19H29NO and molecular weight 287.22 g/mol. IUPAC: (2S,11S)-11-[(1E)-buta-1,3-dienyl]-2-penta-3,4-dienyl-1-azaspiro[5.5]undecan-10-ol.
Chemical Property Profile of Isotetrahydrohistrionicotoxin
Property Insights of Isotetrahydrohistrionicotoxin
The XLogP value of 3.8918 indicates that Isotetrahydrohistrionicotoxin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.26 Ų, Isotetrahydrohistrionicotoxin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isotetrahydrohistrionicotoxin has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isotetrahydrohistrionicotoxin?
The CAS number of Isotetrahydrohistrionicotoxin is 55522-87-7.
What is the molecular formula of Isotetrahydrohistrionicotoxin?
The molecular formula of Isotetrahydrohistrionicotoxin is C19H29NO.
What is the molecular weight of Isotetrahydrohistrionicotoxin?
The molecular weight of Isotetrahydrohistrionicotoxin is 287.22 g/mol.
Where can I buy Isotetrahydrohistrionicotoxin?
You can request a quote for Isotetrahydrohistrionicotoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isotetrahydrohistrionicotoxin?
Yes, KEHONG BIO provides custom synthesis services for Isotetrahydrohistrionicotoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.