Butyrophenone, 4-(dimethylamino)-2'-phenethyl-, hydrochloride
TL;DR: Butyrophenone, 4-(dimethylamino)-2'-phenethyl-, hydrochloride (CAS 7428-73-1) 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-4-[2-(2-phenylethyl)phenyl]butyl]azanium chloride
Also Known As: 4-(Dimethylamino)-2'-phenethylbutyrophenone hydrochloride, 2-(2-Phenylethyl)phenyl 3'-dimethylaminopropyl ketone hydrochloride, BUTYROPHENONE, 4-(DIMETHYLAMINO)-2'-PHENETHYL-, HYDROCHLORIDE, dimethyl-[4-oxo-4-(2-phenethylphenyl)butyl]azanium chloride, 2-(2-Phenylaethyl)phenyl-3'-dimethylaminopropylketone hydrochlorid
| Molecular Formula | C20H26ClNO |
|---|---|
| Molecular Weight | 331.17 g/mol |
| LogP | -0.42 |
| Topological Polar Surface Area | 21.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 331.1703 |
| Heavy Atoms | 23 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 7428-73-1 |
|---|---|
| SMILES | C[NH+](C)CCCC(=O)C1=CC=CC=C1CCC2=CC=CC=C2.[Cl-] |
| InChIKey | FRQDXKKFIXSNHH-UHFFFAOYSA-N |
Product Overview
Butyrophenone, 4-(dimethylamino)-2'-phenethyl-, hydrochloride (CAS 7428-73-1), with molecular formula C20H26ClNO and molecular weight 331.17 g/mol. IUPAC: dimethyl-[4-oxo-4-[2-(2-phenylethyl)phenyl]butyl]azanium chloride.
Chemical Property Profile of Butyrophenone, 4-(dimethylamino)-2'-phenethyl-, hydrochloride
Property Insights of Butyrophenone, 4-(dimethylamino)-2'-phenethyl-, hydrochloride
The XLogP value of -0.42 indicates that Butyrophenone, 4-(dimethylamino)-2'-phenethyl-, 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, Butyrophenone, 4-(dimethylamino)-2'-phenethyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyrophenone, 4-(dimethylamino)-2'-phenethyl-, 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 Butyrophenone, 4-(dimethylamino)-2'-phenethyl-, hydrochloride?
The CAS number of Butyrophenone, 4-(dimethylamino)-2'-phenethyl-, hydrochloride is 7428-73-1.
What is the molecular formula of Butyrophenone, 4-(dimethylamino)-2'-phenethyl-, hydrochloride?
The molecular formula of Butyrophenone, 4-(dimethylamino)-2'-phenethyl-, hydrochloride is C20H26ClNO.
What is the molecular weight of Butyrophenone, 4-(dimethylamino)-2'-phenethyl-, hydrochloride?
The molecular weight of Butyrophenone, 4-(dimethylamino)-2'-phenethyl-, hydrochloride is 331.17 g/mol.
Where can I buy Butyrophenone, 4-(dimethylamino)-2'-phenethyl-, hydrochloride?
You can request a quote for Butyrophenone, 4-(dimethylamino)-2'-phenethyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyrophenone, 4-(dimethylamino)-2'-phenethyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Butyrophenone, 4-(dimethylamino)-2'-phenethyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.