Ammonium, dimethylphenacyl((phenylcarbamoyl)methyl)-, bromide
TL;DR: Ammonium, dimethylphenacyl((phenylcarbamoyl)methyl)-, bromide (CAS 3131-78-0) is a chemical compound with molecular formula C18H21BrN2O2 and molecular weight 376.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-anilino-2-oxoethyl)-dimethyl-phenacylazanium bromide
Also Known As: Dimethylphenacyl((phenylcarbamoyl)methyl)ammonium bromide, (2-anilino-2-oxoethyl)-dimethyl-phenacylazanium bromide, AMMONIUM, DIMETHYLPHENACYL((PHENYLCARBAMOYL)METHYL)-, BROMIDE, Benzeneethanaminium, N,N-dimethyl-beta-oxo-N-(2-oxo-2-(phenylamino)ethyl)-, bromide, Benzeneethanaminium,N,N-dimethyl-b-oxo-N-[2-oxo-2-(phenylamino)ethyl]-,bromide (1:1)
| Molecular Formula | C18H21BrN2O2 |
|---|---|
| Molecular Weight | 376.08 g/mol |
| LogP | -0.41 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.07864 |
| Heavy Atoms | 23 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 3131-78-0 |
|---|---|
| SMILES | C[N+](C)(CC(=O)C1=CC=CC=C1)CC(=O)NC2=CC=CC=C2.[Br-] |
| InChIKey | ZFLSDETXVKNHRO-UHFFFAOYSA-N |
Product Overview
Ammonium, dimethylphenacyl((phenylcarbamoyl)methyl)-, bromide (CAS 3131-78-0), with molecular formula C18H21BrN2O2 and molecular weight 376.08 g/mol. IUPAC: (2-anilino-2-oxoethyl)-dimethyl-phenacylazanium bromide.
Chemical Property Profile of Ammonium, dimethylphenacyl((phenylcarbamoyl)methyl)-, bromide
Property Insights of Ammonium, dimethylphenacyl((phenylcarbamoyl)methyl)-, bromide
The XLogP value of -0.41 indicates that Ammonium, dimethylphenacyl((phenylcarbamoyl)methyl)-, bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.2 Ų, Ammonium, dimethylphenacyl((phenylcarbamoyl)methyl)-, bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, dimethylphenacyl((phenylcarbamoyl)methyl)-, bromide has 1 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 Ammonium, dimethylphenacyl((phenylcarbamoyl)methyl)-, bromide?
The CAS number of Ammonium, dimethylphenacyl((phenylcarbamoyl)methyl)-, bromide is 3131-78-0.
What is the molecular formula of Ammonium, dimethylphenacyl((phenylcarbamoyl)methyl)-, bromide?
The molecular formula of Ammonium, dimethylphenacyl((phenylcarbamoyl)methyl)-, bromide is C18H21BrN2O2.
What is the molecular weight of Ammonium, dimethylphenacyl((phenylcarbamoyl)methyl)-, bromide?
The molecular weight of Ammonium, dimethylphenacyl((phenylcarbamoyl)methyl)-, bromide is 376.08 g/mol.
Where can I buy Ammonium, dimethylphenacyl((phenylcarbamoyl)methyl)-, bromide?
You can request a quote for Ammonium, dimethylphenacyl((phenylcarbamoyl)methyl)-, bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, dimethylphenacyl((phenylcarbamoyl)methyl)-, bromide?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, dimethylphenacyl((phenylcarbamoyl)methyl)-, bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.