Pseudonicotine
TL;DR: Pseudonicotine (CAS 66907-77-5) is a chemical compound with molecular formula C23H45N3O and molecular weight 379.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5,10-triazabicyclo[20.4.0]hexacosan-11-one
Also Known As: Pseudonicotine, 1,5,10-triazabicyclo[20.4.0]hexacosan-11-one, docosahydro-1h-pyrido[2,1-v][1,5,10]triazacyclodocosin-10(11h)-one, 1H-Pyrido(2,1-v)(1,5,10)triazacyclodocosin-10(11H)-one, docosahydro-, 2,3,4,5,6,7,8,11,12,13,14,15,16,17,18,19,20,20a,21,22,23,24-Docosahydro-1H-pyrido[2,1-v][1,5,10]triazacyclodocosin-10-ol
| Molecular Formula | C23H45N3O |
|---|---|
| Molecular Weight | 379.36 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 44.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 379.35626 |
| Heavy Atoms | 27 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 66907-77-5 |
|---|---|
| SMILES | C1CCCCCC(=O)NCCCCNCCCN2CCCCC2CCCC1 |
| InChIKey | PFHBTNKRLUBVDC-UHFFFAOYSA-N |
Product Overview
Pseudonicotine (CAS 66907-77-5), with molecular formula C23H45N3O and molecular weight 379.36 g/mol. IUPAC: 1,5,10-triazabicyclo[20.4.0]hexacosan-11-one.
Chemical Property Profile of Pseudonicotine
Property Insights of Pseudonicotine
The XLogP value of 5.2 indicates that Pseudonicotine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.4 Ų, Pseudonicotine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pseudonicotine has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pseudonicotine?
The CAS number of Pseudonicotine is 66907-77-5.
What is the molecular formula of Pseudonicotine?
The molecular formula of Pseudonicotine is C23H45N3O.
What is the molecular weight of Pseudonicotine?
The molecular weight of Pseudonicotine is 379.36 g/mol.
Where can I buy Pseudonicotine?
You can request a quote for Pseudonicotine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudonicotine?
Yes, KEHONG BIO provides custom synthesis services for Pseudonicotine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.