Pyridinium, 3-hydroxy-1-(2-methylallyl)-, bromide, dimethylcarbamate
TL;DR: Pyridinium, 3-hydroxy-1-(2-methylallyl)-, bromide, dimethylcarbamate (CAS 69440-45-5) is a chemical compound with molecular formula C12H17BrN2O2 and molecular weight 300.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(2-methylprop-2-enyl)pyridin-1-ium-3-yl] N,N-dimethylcarbamate bromide
Also Known As: Pyridinium, 3-dimethylcarbamoyloxy-1-(2-methylallyl)-, bromide, 3-Dimethylcarbamoyloxy-1-(2-methylallyl)pyridinium bromide, Pyridinium, 3-hydroxy-1-(2-methylallyl)-, bromide, dimethylcarbamate, 3-HYDROXY-1-ISOPROPYLPYRIDINIUM BROMIDE DIMETHYLCARBAMATE, [1-(2-methylprop-2-enyl)pyridin-1-ium-3-yl] N,N-dimethylcarbamate bromide
| Molecular Formula | C12H17BrN2O2 |
|---|---|
| Molecular Weight | 300.05 g/mol |
| LogP | -1.3854 |
| Topological Polar Surface Area | 33.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.04733 |
| Heavy Atoms | 17 |
| Complexity | 405.24704 |
Chemical Identifiers
| CAS Number | 69440-45-5 |
|---|---|
| SMILES | CC(=C)C[N+]1=CC=CC(=C1)OC(=O)N(C)C.[Br-] |
Product Overview
Pyridinium, 3-hydroxy-1-(2-methylallyl)-, bromide, dimethylcarbamate (CAS 69440-45-5), with molecular formula C12H17BrN2O2 and molecular weight 300.05 g/mol. IUPAC: [1-(2-methylprop-2-enyl)pyridin-1-ium-3-yl] N,N-dimethylcarbamate bromide.
Chemical Property Profile of Pyridinium, 3-hydroxy-1-(2-methylallyl)-, bromide, dimethylcarbamate
Property Insights of Pyridinium, 3-hydroxy-1-(2-methylallyl)-, bromide, dimethylcarbamate
The XLogP value of -1.3854 indicates that Pyridinium, 3-hydroxy-1-(2-methylallyl)-, bromide, dimethylcarbamate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 33.42 Ų, Pyridinium, 3-hydroxy-1-(2-methylallyl)-, bromide, dimethylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridinium, 3-hydroxy-1-(2-methylallyl)-, bromide, dimethylcarbamate has 0 hydrogen bond donor(s) and 2 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 Pyridinium, 3-hydroxy-1-(2-methylallyl)-, bromide, dimethylcarbamate?
The CAS number of Pyridinium, 3-hydroxy-1-(2-methylallyl)-, bromide, dimethylcarbamate is 69440-45-5.
What is the molecular formula of Pyridinium, 3-hydroxy-1-(2-methylallyl)-, bromide, dimethylcarbamate?
The molecular formula of Pyridinium, 3-hydroxy-1-(2-methylallyl)-, bromide, dimethylcarbamate is C12H17BrN2O2.
What is the molecular weight of Pyridinium, 3-hydroxy-1-(2-methylallyl)-, bromide, dimethylcarbamate?
The molecular weight of Pyridinium, 3-hydroxy-1-(2-methylallyl)-, bromide, dimethylcarbamate is 300.05 g/mol.
Where can I buy Pyridinium, 3-hydroxy-1-(2-methylallyl)-, bromide, dimethylcarbamate?
You can request a quote for Pyridinium, 3-hydroxy-1-(2-methylallyl)-, bromide, dimethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridinium, 3-hydroxy-1-(2-methylallyl)-, bromide, dimethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 3-hydroxy-1-(2-methylallyl)-, bromide, dimethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.