Precoccinelline
TL;DR: Precoccinelline (CAS 38211-56-2) is a chemical compound with molecular formula C13H23N and molecular weight 193.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,5S)-3-methyl-13-azatricyclo[7.3.1.05,13]tridecane
Also Known As: Precoccinelline, Alkaloid 193C, (1R,3r,5S,9r)-3-methyl-13-azatricyclo[7.3.1.05,13]tridecane, (1R,3r,5S,9s)-3-methyl-13-azatricyclo[7.3.1.05,13]tridecane, (3a?,6a?,9a?)-dodecahydro-2a-methylpyrido[2,1,6-de]quinolizine
| Molecular Formula | C13H23N |
|---|---|
| Molecular Weight | 193.18 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 193.18304 |
| Heavy Atoms | 14 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 38211-56-2 |
|---|---|
| SMILES | CC1C[C@H]2CCCC3N2[C@H](C1)CCC3 |
| InChIKey | MOQNYBQLQBMEKL-BPNZPQAUSA-N |
Product Overview
Precoccinelline (CAS 38211-56-2), with molecular formula C13H23N and molecular weight 193.18 g/mol. IUPAC: (1R,5S)-3-methyl-13-azatricyclo[7.3.1.05,13]tridecane.
Chemical Property Profile of Precoccinelline
Property Insights of Precoccinelline
The XLogP value of 3.4 indicates that Precoccinelline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, Precoccinelline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Precoccinelline has 0 hydrogen bond donor(s) and 1 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 Precoccinelline?
The CAS number of Precoccinelline is 38211-56-2.
What is the molecular formula of Precoccinelline?
The molecular formula of Precoccinelline is C13H23N.
What is the molecular weight of Precoccinelline?
The molecular weight of Precoccinelline is 193.18 g/mol.
Where can I buy Precoccinelline?
You can request a quote for Precoccinelline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Precoccinelline?
Yes, KEHONG BIO provides custom synthesis services for Precoccinelline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.