3-(Benzoyloxy)-N,N,N-trimethylanilinium bromide
TL;DR: 3-(Benzoyloxy)-N,N,N-trimethylanilinium bromide (CAS 64048-40-4) is a chemical compound with molecular formula C16H18BrNO2 and molecular weight 335.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzoyloxyphenyl)-trimethylazanium bromide
Also Known As: 3-Benzoyloxyphenyltrimethylammonium bromide, Ro 2-2650, (3-benzoyloxyphenyl)-trimethylazanium bromide, (3-benzoyloxyphenyl)-trimethylazanium,bromide, AMMONIUM, (3-BENZOYLOXYPHENYL)TRIMETHYL-, BROMIDE
| Molecular Formula | C16H18BrNO2 |
|---|---|
| Molecular Weight | 335.05 g/mol |
| LogP | 0.11 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.0521 |
| Heavy Atoms | 20 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 64048-40-4 |
|---|---|
| SMILES | C[N+](C)(C)C1=CC(=CC=C1)OC(=O)C2=CC=CC=C2.[Br-] |
| InChIKey | TXNREHWFZSEYKZ-UHFFFAOYSA-M |
Product Overview
3-(Benzoyloxy)-N,N,N-trimethylanilinium bromide (CAS 64048-40-4), with molecular formula C16H18BrNO2 and molecular weight 335.05 g/mol. IUPAC: (3-benzoyloxyphenyl)-trimethylazanium bromide.
Chemical Property Profile of 3-(Benzoyloxy)-N,N,N-trimethylanilinium bromide
Property Insights of 3-(Benzoyloxy)-N,N,N-trimethylanilinium bromide
The XLogP value of 0.11 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Benzoyloxy)-N,N,N-trimethylanilinium bromide. With a topological polar surface area (TPSA) of 26.3 Ų, 3-(Benzoyloxy)-N,N,N-trimethylanilinium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Benzoyloxy)-N,N,N-trimethylanilinium 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 3-(Benzoyloxy)-N,N,N-trimethylanilinium bromide?
The CAS number of 3-(Benzoyloxy)-N,N,N-trimethylanilinium bromide is 64048-40-4.
What is the molecular formula of 3-(Benzoyloxy)-N,N,N-trimethylanilinium bromide?
The molecular formula of 3-(Benzoyloxy)-N,N,N-trimethylanilinium bromide is C16H18BrNO2.
What is the molecular weight of 3-(Benzoyloxy)-N,N,N-trimethylanilinium bromide?
The molecular weight of 3-(Benzoyloxy)-N,N,N-trimethylanilinium bromide is 335.05 g/mol.
Where can I buy 3-(Benzoyloxy)-N,N,N-trimethylanilinium bromide?
You can request a quote for 3-(Benzoyloxy)-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 3-(Benzoyloxy)-N,N,N-trimethylanilinium bromide?
Yes, KEHONG BIO provides custom synthesis services for 3-(Benzoyloxy)-N,N,N-trimethylanilinium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.