N,N,N-Trimethyl-4-oxo-4-phenylbutan-1-aminium bromide
TL;DR: N,N,N-Trimethyl-4-oxo-4-phenylbutan-1-aminium bromide (CAS 27796-57-2) is a chemical compound with molecular formula C13H20BrNO and molecular weight 285.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-(4-oxo-4-phenylbutyl)azanium bromide
Also Known As: (3-Benzoylpropyl)trimethylammonium bromide, Ammonium, (3-benzoylpropyl)trimethyl-, bromide, n,n,n-trimethyl-4-oxo-4-phenylbutan-1-aminium bromide, trimethyl-(4-oxo-4-phenylbutyl)azanium bromide, Benzenebutanaminium,N,N,N-trimethyl-D-oxo-,bromide(9ci)
| Molecular Formula | C13H20BrNO |
|---|---|
| Molecular Weight | 285.07 g/mol |
| LogP | -0.6403 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 285.0728 |
| Heavy Atoms | 16 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 27796-57-2 |
|---|---|
| SMILES | C[N+](C)(C)CCCC(=O)C1=CC=CC=C1.[Br-] |
| InChIKey | UVZKXUQJHSWMCJ-UHFFFAOYSA-M |
Product Overview
N,N,N-Trimethyl-4-oxo-4-phenylbutan-1-aminium bromide (CAS 27796-57-2), with molecular formula C13H20BrNO and molecular weight 285.07 g/mol. IUPAC: trimethyl-(4-oxo-4-phenylbutyl)azanium bromide.
Chemical Property Profile of N,N,N-Trimethyl-4-oxo-4-phenylbutan-1-aminium bromide
Property Insights of N,N,N-Trimethyl-4-oxo-4-phenylbutan-1-aminium bromide
The XLogP value of -0.6403 indicates that N,N,N-Trimethyl-4-oxo-4-phenylbutan-1-aminium bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 17.1 Ų, N,N,N-Trimethyl-4-oxo-4-phenylbutan-1-aminium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N,N-Trimethyl-4-oxo-4-phenylbutan-1-aminium bromide 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 N,N,N-Trimethyl-4-oxo-4-phenylbutan-1-aminium bromide?
The CAS number of N,N,N-Trimethyl-4-oxo-4-phenylbutan-1-aminium bromide is 27796-57-2.
What is the molecular formula of N,N,N-Trimethyl-4-oxo-4-phenylbutan-1-aminium bromide?
The molecular formula of N,N,N-Trimethyl-4-oxo-4-phenylbutan-1-aminium bromide is C13H20BrNO.
What is the molecular weight of N,N,N-Trimethyl-4-oxo-4-phenylbutan-1-aminium bromide?
The molecular weight of N,N,N-Trimethyl-4-oxo-4-phenylbutan-1-aminium bromide is 285.07 g/mol.
Where can I buy N,N,N-Trimethyl-4-oxo-4-phenylbutan-1-aminium bromide?
You can request a quote for N,N,N-Trimethyl-4-oxo-4-phenylbutan-1-aminium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N,N-Trimethyl-4-oxo-4-phenylbutan-1-aminium bromide?
Yes, KEHONG BIO provides custom synthesis services for N,N,N-Trimethyl-4-oxo-4-phenylbutan-1-aminium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.