1-Dimethylamino-3,3-diphenyl-4-hexanone hydrochloride
TL;DR: 1-Dimethylamino-3,3-diphenyl-4-hexanone hydrochloride (CAS 847-84-7) is a chemical compound with molecular formula C20H26ClNO and molecular weight 331.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-(4-oxo-3,3-diphenylhexyl)azanium chloride
Also Known As: Ticarda hydrochloride, Normethadone HCl, propylisothiocyanate, Dacartil hydrochloride, Normethadone hydrochloride
| Molecular Formula | C20H26ClNO |
|---|---|
| Molecular Weight | 331.17 g/mol |
| LogP | -0.51 |
| Topological Polar Surface Area | 21.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 331.1703 |
| Heavy Atoms | 23 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 847-84-7 |
|---|---|
| SMILES | CCC(=O)C(CC[NH+](C)C)(C1=CC=CC=C1)C2=CC=CC=C2.[Cl-] |
| InChIKey | GYWUCVKLUKFJLC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Dimethylamino-3,3-diphenyl-4-hexanone hydrochloride (CAS 847-84-7), with molecular formula C20H26ClNO and molecular weight 331.17 g/mol. IUPAC: dimethyl-(4-oxo-3,3-diphenylhexyl)azanium chloride.
Chemical Property Profile of 1-Dimethylamino-3,3-diphenyl-4-hexanone hydrochloride
Property Insights of 1-Dimethylamino-3,3-diphenyl-4-hexanone hydrochloride
The XLogP value of -0.51 indicates that 1-Dimethylamino-3,3-diphenyl-4-hexanone hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 21.5 Ų, 1-Dimethylamino-3,3-diphenyl-4-hexanone hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Dimethylamino-3,3-diphenyl-4-hexanone hydrochloride has 1 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 1-Dimethylamino-3,3-diphenyl-4-hexanone hydrochloride?
The CAS number of 1-Dimethylamino-3,3-diphenyl-4-hexanone hydrochloride is 847-84-7.
What is the molecular formula of 1-Dimethylamino-3,3-diphenyl-4-hexanone hydrochloride?
The molecular formula of 1-Dimethylamino-3,3-diphenyl-4-hexanone hydrochloride is C20H26ClNO.
What is the molecular weight of 1-Dimethylamino-3,3-diphenyl-4-hexanone hydrochloride?
The molecular weight of 1-Dimethylamino-3,3-diphenyl-4-hexanone hydrochloride is 331.17 g/mol.
Where can I buy 1-Dimethylamino-3,3-diphenyl-4-hexanone hydrochloride?
You can request a quote for 1-Dimethylamino-3,3-diphenyl-4-hexanone hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Dimethylamino-3,3-diphenyl-4-hexanone hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Dimethylamino-3,3-diphenyl-4-hexanone hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.