Benzenemethanaminium, 4-benzoyl-N,N,N-trimethyl-, chloride (1:1)
TL;DR: Benzenemethanaminium, 4-benzoyl-N,N,N-trimethyl-, chloride (1:1) (CAS 78697-25-3) is a chemical compound with molecular formula C17H20ClNO and molecular weight 289.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzoylphenyl)methyl-trimethylazanium chloride
Also Known As: (p-Benzoylbenzyl)trimethylammonium chloride, (4-BENZOYLBENZYL)TRIMETHYLAMMONIUM CHLORIDE, TRIMETHYLAMMONIUMCHLORIDE,95, Benzenemethanaminium, 4-benzoyl-N,N,N-trimethyl-, chloride, (4-benzoylphenyl)methyl-trimethylazanium;chloride
| Molecular Formula | C17H20ClNO |
|---|---|
| Molecular Weight | 289.12 g/mol |
| LogP | 0.1278 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.12335 |
| Heavy Atoms | 20 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 78697-25-3 |
|---|---|
| SMILES | C[N+](C)(C)CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2.[Cl-] |
| InChIKey | UROHSXQUJQQUOO-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenemethanaminium, 4-benzoyl-N,N,N-trimethyl-, chloride (1:1) (CAS 78697-25-3), with molecular formula C17H20ClNO and molecular weight 289.12 g/mol. IUPAC: (4-benzoylphenyl)methyl-trimethylazanium chloride.
Chemical Property Profile of Benzenemethanaminium, 4-benzoyl-N,N,N-trimethyl-, chloride (1:1)
Property Insights of Benzenemethanaminium, 4-benzoyl-N,N,N-trimethyl-, chloride (1:1)
The XLogP value of 0.1278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenemethanaminium, 4-benzoyl-N,N,N-trimethyl-, chloride (1:1). With a topological polar surface area (TPSA) of 17.1 Ų, Benzenemethanaminium, 4-benzoyl-N,N,N-trimethyl-, chloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanaminium, 4-benzoyl-N,N,N-trimethyl-, chloride (1:1) 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 Benzenemethanaminium, 4-benzoyl-N,N,N-trimethyl-, chloride (1:1)?
The CAS number of Benzenemethanaminium, 4-benzoyl-N,N,N-trimethyl-, chloride (1:1) is 78697-25-3.
What is the molecular formula of Benzenemethanaminium, 4-benzoyl-N,N,N-trimethyl-, chloride (1:1)?
The molecular formula of Benzenemethanaminium, 4-benzoyl-N,N,N-trimethyl-, chloride (1:1) is C17H20ClNO.
What is the molecular weight of Benzenemethanaminium, 4-benzoyl-N,N,N-trimethyl-, chloride (1:1)?
The molecular weight of Benzenemethanaminium, 4-benzoyl-N,N,N-trimethyl-, chloride (1:1) is 289.12 g/mol.
Where can I buy Benzenemethanaminium, 4-benzoyl-N,N,N-trimethyl-, chloride (1:1)?
You can request a quote for Benzenemethanaminium, 4-benzoyl-N,N,N-trimethyl-, chloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanaminium, 4-benzoyl-N,N,N-trimethyl-, chloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanaminium, 4-benzoyl-N,N,N-trimethyl-, chloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.