2-(Acetyloxy)-N,N,N,3,5-pentamethylanilinium bromide
TL;DR: 2-(Acetyloxy)-N,N,N,3,5-pentamethylanilinium bromide (CAS 64048-54-0) is a chemical compound with molecular formula C13H20BrNO2 and molecular weight 301.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetyloxy-3,5-dimethylphenyl)-trimethylazanium bromide
Also Known As: Ro 2-2649, (2-Acetoxy-3,5-dimethyl)phenyltrimethylammonium bromide, (2-acetyloxy-3,5-dimethylphenyl)-trimethylazanium bromide, AMMONIUM, (2-ACETOXY-3,5-DIMETHYL)PHENYLTRIMETHYL-, BROMIDE, 2-(ACETYLOXY)-N,N,N,3,5-PENTAMETHYLANILINIUM BROMIDE
| Molecular Formula | C13H20BrNO2 |
|---|---|
| Molecular Weight | 301.07 g/mol |
| LogP | -0.57 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.06775 |
| Heavy Atoms | 17 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 64048-54-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)[N+](C)(C)C)OC(=O)C)C.[Br-] |
| InChIKey | PTOLALBYYJIENX-UHFFFAOYSA-M |
Product Overview
2-(Acetyloxy)-N,N,N,3,5-pentamethylanilinium bromide (CAS 64048-54-0), with molecular formula C13H20BrNO2 and molecular weight 301.07 g/mol. IUPAC: (2-acetyloxy-3,5-dimethylphenyl)-trimethylazanium bromide.
Chemical Property Profile of 2-(Acetyloxy)-N,N,N,3,5-pentamethylanilinium bromide
Property Insights of 2-(Acetyloxy)-N,N,N,3,5-pentamethylanilinium bromide
The XLogP value of -0.57 indicates that 2-(Acetyloxy)-N,N,N,3,5-pentamethylanilinium bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.3 Ų, 2-(Acetyloxy)-N,N,N,3,5-pentamethylanilinium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Acetyloxy)-N,N,N,3,5-pentamethylanilinium bromide 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 2-(Acetyloxy)-N,N,N,3,5-pentamethylanilinium bromide?
The CAS number of 2-(Acetyloxy)-N,N,N,3,5-pentamethylanilinium bromide is 64048-54-0.
What is the molecular formula of 2-(Acetyloxy)-N,N,N,3,5-pentamethylanilinium bromide?
The molecular formula of 2-(Acetyloxy)-N,N,N,3,5-pentamethylanilinium bromide is C13H20BrNO2.
What is the molecular weight of 2-(Acetyloxy)-N,N,N,3,5-pentamethylanilinium bromide?
The molecular weight of 2-(Acetyloxy)-N,N,N,3,5-pentamethylanilinium bromide is 301.07 g/mol.
Where can I buy 2-(Acetyloxy)-N,N,N,3,5-pentamethylanilinium bromide?
You can request a quote for 2-(Acetyloxy)-N,N,N,3,5-pentamethylanilinium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Acetyloxy)-N,N,N,3,5-pentamethylanilinium bromide?
Yes, KEHONG BIO provides custom synthesis services for 2-(Acetyloxy)-N,N,N,3,5-pentamethylanilinium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.