Anacoline
TL;DR: Anacoline (CAS 2409-15-6) is a chemical compound with molecular formula C22H28BrNO2 and molecular weight 417.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-1-methylpiperidin-1-ium bromide
Also Known As: Anacoline, KST-1B2071, 1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-1-methylpiperidin-1-ium bromide, 1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-1-methylpiperidinium bromide, N-(2,2-Diphenyl-1,3-dioxolan-4-ylmethyl)-N-methylpiperidinium
| Molecular Formula | C22H28BrNO2 |
|---|---|
| Molecular Weight | 417.13 g/mol |
| LogP | 0.9376 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.13034 |
| Heavy Atoms | 26 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 2409-15-6 |
|---|---|
| SMILES | C[N+]1(CCCCC1)CC2COC(O2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-] |
| InChIKey | CJUOFSYWBGKBDU-UHFFFAOYSA-M |
Product Overview
Anacoline (CAS 2409-15-6), with molecular formula C22H28BrNO2 and molecular weight 417.13 g/mol. IUPAC: 1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-1-methylpiperidin-1-ium bromide.
Chemical Property Profile of Anacoline
Property Insights of Anacoline
The XLogP value of 0.9376 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Anacoline. With a topological polar surface area (TPSA) of 18.5 Ų, Anacoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Anacoline has 0 hydrogen bond donor(s) and 3 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 Anacoline?
The CAS number of Anacoline is 2409-15-6.
What is the molecular formula of Anacoline?
The molecular formula of Anacoline is C22H28BrNO2.
What is the molecular weight of Anacoline?
The molecular weight of Anacoline is 417.13 g/mol.
Where can I buy Anacoline?
You can request a quote for Anacoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anacoline?
Yes, KEHONG BIO provides custom synthesis services for Anacoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.