Perhydrohistrionicotoxin
TL;DR: Perhydrohistrionicotoxin (CAS 40709-29-3) is a chemical compound with molecular formula C19H37NO and molecular weight 295.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,6R,10S,11S)-11-butyl-2-pentyl-1-azaspiro[5.5]undecan-10-ol
Also Known As: Perhydrohistrionicotoxin, H(12)-Htx, (-)-Perhydrohistrionicotoxin, KST-1A4825, (2r,6r,7s,8s)-7-butyl-2-pentyl-1-azaspiro[5.5]undecan-8-ol
| Molecular Formula | C19H37NO |
|---|---|
| Molecular Weight | 295.29 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 295.2875 |
| Heavy Atoms | 21 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 40709-29-3 |
|---|---|
| SMILES | CCCCC[C@@H]1CCC[C@@]2(N1)CCC[C@@H]([C@H]2CCCC)O |
| InChIKey | BTKHRQIWTGOESJ-AKHDSKFASA-N |
Product Overview
Perhydrohistrionicotoxin (CAS 40709-29-3), with molecular formula C19H37NO and molecular weight 295.29 g/mol. IUPAC: (2R,6R,10S,11S)-11-butyl-2-pentyl-1-azaspiro[5.5]undecan-10-ol.
Chemical Property Profile of Perhydrohistrionicotoxin
Property Insights of Perhydrohistrionicotoxin
The XLogP value of 5.4 indicates that Perhydrohistrionicotoxin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, Perhydrohistrionicotoxin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Perhydrohistrionicotoxin has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Perhydrohistrionicotoxin?
The CAS number of Perhydrohistrionicotoxin is 40709-29-3.
What is the molecular formula of Perhydrohistrionicotoxin?
The molecular formula of Perhydrohistrionicotoxin is C19H37NO.
What is the molecular weight of Perhydrohistrionicotoxin?
The molecular weight of Perhydrohistrionicotoxin is 295.29 g/mol.
Where can I buy Perhydrohistrionicotoxin?
You can request a quote for Perhydrohistrionicotoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Perhydrohistrionicotoxin?
Yes, KEHONG BIO provides custom synthesis services for Perhydrohistrionicotoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.