N,N,N-Trimethyl-5-oxo-4,4-diphenylheptan-2-aminium chloride
TL;DR: N,N,N-Trimethyl-5-oxo-4,4-diphenylheptan-2-aminium chloride (CAS 63834-35-5) is a chemical compound with molecular formula C22H30ClNO and molecular weight 359.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-(5-oxo-4,4-diphenylheptan-2-yl)azanium chloride
Also Known As: 6-Dimethylamino-4,4-diphenyl-3-heptanone methochloride, trimethyl-(5-oxo-4,4-diphenylheptan-2-yl)azanium chloride, 3-HEPTANONE, 6-DIMETHYLAMINO-4,4-DIPHENYL-, METHYLCHLORIDE, N,N,N-Trimethyl-5-oxo-4,4-diphenylheptan-2-aminium chloride, Benzenepropanaminium, N,N,N,.alpha.-tetramethyl-.gamma.-(1-oxopropyl)-.gamma.-phenyl-, chloride
| Molecular Formula | C22H30ClNO |
|---|---|
| Molecular Weight | 359.20 g/mol |
| LogP | 1.44 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 359.2016 |
| Heavy Atoms | 25 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 63834-35-5 |
|---|---|
| SMILES | CCC(=O)C(CC(C)[N+](C)(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.[Cl-] |
| InChIKey | GENRUBKMOWZCII-UHFFFAOYSA-M |
Product Overview
N,N,N-Trimethyl-5-oxo-4,4-diphenylheptan-2-aminium chloride (CAS 63834-35-5), with molecular formula C22H30ClNO and molecular weight 359.20 g/mol. IUPAC: trimethyl-(5-oxo-4,4-diphenylheptan-2-yl)azanium chloride.
Chemical Property Profile of N,N,N-Trimethyl-5-oxo-4,4-diphenylheptan-2-aminium chloride
Property Insights of N,N,N-Trimethyl-5-oxo-4,4-diphenylheptan-2-aminium chloride
The XLogP value of 1.44 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N,N-Trimethyl-5-oxo-4,4-diphenylheptan-2-aminium chloride. With a topological polar surface area (TPSA) of 17.1 Ų, N,N,N-Trimethyl-5-oxo-4,4-diphenylheptan-2-aminium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N,N-Trimethyl-5-oxo-4,4-diphenylheptan-2-aminium chloride 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-5-oxo-4,4-diphenylheptan-2-aminium chloride?
The CAS number of N,N,N-Trimethyl-5-oxo-4,4-diphenylheptan-2-aminium chloride is 63834-35-5.
What is the molecular formula of N,N,N-Trimethyl-5-oxo-4,4-diphenylheptan-2-aminium chloride?
The molecular formula of N,N,N-Trimethyl-5-oxo-4,4-diphenylheptan-2-aminium chloride is C22H30ClNO.
What is the molecular weight of N,N,N-Trimethyl-5-oxo-4,4-diphenylheptan-2-aminium chloride?
The molecular weight of N,N,N-Trimethyl-5-oxo-4,4-diphenylheptan-2-aminium chloride is 359.20 g/mol.
Where can I buy N,N,N-Trimethyl-5-oxo-4,4-diphenylheptan-2-aminium chloride?
You can request a quote for N,N,N-Trimethyl-5-oxo-4,4-diphenylheptan-2-aminium chloride 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-5-oxo-4,4-diphenylheptan-2-aminium chloride?
Yes, KEHONG BIO provides custom synthesis services for N,N,N-Trimethyl-5-oxo-4,4-diphenylheptan-2-aminium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.