2-(2,3-Dihydroxypropoxy)-N,N,N-trimethylanilinium bromide
TL;DR: 2-(2,3-Dihydroxypropoxy)-N,N,N-trimethylanilinium bromide (CAS 109731-99-9) is a chemical compound with molecular formula C12H20BrNO3 and molecular weight 305.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,3-dihydroxypropoxy)phenyl]-trimethylazanium bromide
Also Known As: (o-(2,3-Dihydroxypropoxy)phenyl)trimethylammonium bromide, 3-(o-Dimethylaminophenoxy)-1,2-propanediol methobromide, [2-(2,3-dihydroxypropoxy)phenyl]-trimethylazanium bromide, 2-(2,3-dihydroxypropoxy)-n,n,n-trimethylanilinium bromide, [2-(2,3-dihydroxypropoxy)phenyl]-trimethylazanium
| Molecular Formula | C12H20BrNO3 |
|---|---|
| Molecular Weight | 305.06 g/mol |
| LogP | -2.38 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.06265 |
| Heavy Atoms | 17 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 109731-99-9 |
|---|---|
| SMILES | C[N+](C)(C)C1=CC=CC=C1OCC(CO)O.[Br-] |
| InChIKey | IZDMGCXUXGUNAX-UHFFFAOYSA-M |
Product Overview
2-(2,3-Dihydroxypropoxy)-N,N,N-trimethylanilinium bromide (CAS 109731-99-9), with molecular formula C12H20BrNO3 and molecular weight 305.06 g/mol. IUPAC: [2-(2,3-dihydroxypropoxy)phenyl]-trimethylazanium bromide.
Chemical Property Profile of 2-(2,3-Dihydroxypropoxy)-N,N,N-trimethylanilinium bromide
Property Insights of 2-(2,3-Dihydroxypropoxy)-N,N,N-trimethylanilinium bromide
The XLogP value of -2.38 indicates that 2-(2,3-Dihydroxypropoxy)-N,N,N-trimethylanilinium bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.7 Ų, 2-(2,3-Dihydroxypropoxy)-N,N,N-trimethylanilinium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,3-Dihydroxypropoxy)-N,N,N-trimethylanilinium bromide has 2 hydrogen bond donor(s) and 4 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 2-(2,3-Dihydroxypropoxy)-N,N,N-trimethylanilinium bromide?
The CAS number of 2-(2,3-Dihydroxypropoxy)-N,N,N-trimethylanilinium bromide is 109731-99-9.
What is the molecular formula of 2-(2,3-Dihydroxypropoxy)-N,N,N-trimethylanilinium bromide?
The molecular formula of 2-(2,3-Dihydroxypropoxy)-N,N,N-trimethylanilinium bromide is C12H20BrNO3.
What is the molecular weight of 2-(2,3-Dihydroxypropoxy)-N,N,N-trimethylanilinium bromide?
The molecular weight of 2-(2,3-Dihydroxypropoxy)-N,N,N-trimethylanilinium bromide is 305.06 g/mol.
Where can I buy 2-(2,3-Dihydroxypropoxy)-N,N,N-trimethylanilinium bromide?
You can request a quote for 2-(2,3-Dihydroxypropoxy)-N,N,N-trimethylanilinium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,3-Dihydroxypropoxy)-N,N,N-trimethylanilinium bromide?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,3-Dihydroxypropoxy)-N,N,N-trimethylanilinium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.