3-carbamyl-N-allylquinuclidinium
TL;DR: 3-carbamyl-N-allylquinuclidinium (CAS 17514-62-4) is a chemical compound with molecular formula C12H21BrN2O2 and molecular weight 304.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl) N-methylcarbamate bromide
Also Known As: 3-Carbamyl-N-allylquinuclidinium, 3,N-Cab, 3-Carbamyl-N-allylquinuclidinium bromide, 3-[(methylcarbamoyl)oxy]-1-(prop-2-en-1-yl)-1-azoniabicyclo[2.2.2]octane bromide, 1-Azoniabicyclo[2.2.2]octane,3-[[(methylamino)carbonyl]oxy]-1-(2-propen-1-yl)-, bromide (1:1)
| Molecular Formula | C12H21BrN2O2 |
|---|---|
| Molecular Weight | 304.08 g/mol |
| LogP | -1.8586 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.07864 |
| Heavy Atoms | 17 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 17514-62-4 |
|---|---|
| SMILES | CNC(=O)OC1C[N+]2(CCC1CC2)CC=C.[Br-] |
| InChIKey | BXDQGQQKPNCSLK-UHFFFAOYSA-N |
Product Overview
3-carbamyl-N-allylquinuclidinium (CAS 17514-62-4), with molecular formula C12H21BrN2O2 and molecular weight 304.08 g/mol. IUPAC: (1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl) N-methylcarbamate bromide.
Chemical Property Profile of 3-carbamyl-N-allylquinuclidinium
Property Insights of 3-carbamyl-N-allylquinuclidinium
The XLogP value of -1.8586 indicates that 3-carbamyl-N-allylquinuclidinium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.3 Ų, 3-carbamyl-N-allylquinuclidinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-carbamyl-N-allylquinuclidinium has 1 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 3-carbamyl-N-allylquinuclidinium?
The CAS number of 3-carbamyl-N-allylquinuclidinium is 17514-62-4.
What is the molecular formula of 3-carbamyl-N-allylquinuclidinium?
The molecular formula of 3-carbamyl-N-allylquinuclidinium is C12H21BrN2O2.
What is the molecular weight of 3-carbamyl-N-allylquinuclidinium?
The molecular weight of 3-carbamyl-N-allylquinuclidinium is 304.08 g/mol.
Where can I buy 3-carbamyl-N-allylquinuclidinium?
You can request a quote for 3-carbamyl-N-allylquinuclidinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-carbamyl-N-allylquinuclidinium?
Yes, KEHONG BIO provides custom synthesis services for 3-carbamyl-N-allylquinuclidinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.