Coccinelline
TL;DR: Coccinelline (CAS 38931-98-5) is a chemical compound with molecular formula C13H23NO and molecular weight 209.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,5S)-3-methyl-13-oxido-13-azoniatricyclo[7.3.1.05,13]tridecane
Also Known As: Coccinelline, Coccinellin, MyrrineN-okisido, KST-1A4475, J1.038.184C
| Molecular Formula | C13H23NO |
|---|---|
| Molecular Weight | 209.18 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 18.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 209.17796 |
| Heavy Atoms | 15 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 38931-98-5 |
|---|---|
| SMILES | CC1C[C@H]2CCCC3[N+]2([C@H](C1)CCC3)[O-] |
| InChIKey | NJQZDKSCLZDPMI-LJZITESISA-N |
Product Overview
Coccinelline (CAS 38931-98-5), with molecular formula C13H23NO and molecular weight 209.18 g/mol. IUPAC: (1R,5S)-3-methyl-13-oxido-13-azoniatricyclo[7.3.1.05,13]tridecane.
Chemical Property Profile of Coccinelline
Property Insights of Coccinelline
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Coccinelline. With a topological polar surface area (TPSA) of 18.1 Ų, Coccinelline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Coccinelline 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 Coccinelline?
The CAS number of Coccinelline is 38931-98-5.
What is the molecular formula of Coccinelline?
The molecular formula of Coccinelline is C13H23NO.
What is the molecular weight of Coccinelline?
The molecular weight of Coccinelline is 209.18 g/mol.
Where can I buy Coccinelline?
You can request a quote for Coccinelline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coccinelline?
Yes, KEHONG BIO provides custom synthesis services for Coccinelline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.