Butyrophenone, 4'-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-, hydrochloride
TL;DR: Butyrophenone, 4'-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-, hydrochloride (CAS 15997-83-8) is a chemical compound with molecular formula C19H21ClFNO and molecular weight 333.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butan-1-one chloride
Also Known As: p-Fluoro-4-(1,2,3,4-tetrahydroisoquinolinyl)butyrophenone hydrochloride, BUTYROPHENONE, 4'-FLUORO-4-(1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)-, HYDROCHLORIDE, 1-(4-fluorophenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butan-1-one;chloride, 1-(4-fluorophenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butan-1-one chloride, RefChem:1080517
| Molecular Formula | C19H21ClFNO |
|---|---|
| Molecular Weight | 333.13 g/mol |
| LogP | -0.57 |
| Topological Polar Surface Area | 21.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.12958 |
| Heavy Atoms | 23 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 15997-83-8 |
|---|---|
| SMILES | C1C[NH+](CC2=CC=CC=C21)CCCC(=O)C3=CC=C(C=C3)F.[Cl-] |
| InChIKey | NYPZNAJURMCUDW-UHFFFAOYSA-N |
Product Overview
Butyrophenone, 4'-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-, hydrochloride (CAS 15997-83-8), with molecular formula C19H21ClFNO and molecular weight 333.13 g/mol. IUPAC: 1-(4-fluorophenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butan-1-one chloride.
Chemical Property Profile of Butyrophenone, 4'-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-, hydrochloride
Property Insights of Butyrophenone, 4'-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-, hydrochloride
The XLogP value of -0.57 indicates that Butyrophenone, 4'-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-, 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'-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyrophenone, 4'-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-, hydrochloride 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 Butyrophenone, 4'-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-, hydrochloride?
The CAS number of Butyrophenone, 4'-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-, hydrochloride is 15997-83-8.
What is the molecular formula of Butyrophenone, 4'-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-, hydrochloride?
The molecular formula of Butyrophenone, 4'-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-, hydrochloride is C19H21ClFNO.
What is the molecular weight of Butyrophenone, 4'-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-, hydrochloride?
The molecular weight of Butyrophenone, 4'-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-, hydrochloride is 333.13 g/mol.
Where can I buy Butyrophenone, 4'-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-, hydrochloride?
You can request a quote for Butyrophenone, 4'-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-, 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'-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Butyrophenone, 4'-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.