1-(4-Fluorophenyl)-4-naphthalen-1,4-imin-9-yl-1-butanone hydrochloride
TL;DR: 1-(4-Fluorophenyl)-4-naphthalen-1,4-imin-9-yl-1-butanone hydrochloride (CAS 40528-23-2) is a chemical compound with molecular formula C20H21ClFNO and molecular weight 345.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-1-(4-fluorophenyl)butan-1-one;hydrochloride
Also Known As: 1-(4-Fluorophenyl)-4-naphthalen-1,4-imin-9-yl-1-butanone hydrochloride, 1-(4-fluorophenyl)-4-(1,2,3,4-tetrahydro-1,4-epiminonaphthalen-9-yl)butan-1-one hydrochloride(1:1), 1-Butanone, 1-(4-fluorophenyl)-4-naphthalen-1,4-imin-9-yl-, hydrochloride, 1-(4-Fluorophenyl)-4-(1,2,3,4-tetrahydro-1,4-epiminonaphthalen-9-yl)butan-1-one--hydrogen chloride (1/1), RefChem:1054383
| Molecular Formula | C20H21ClFNO |
|---|---|
| Molecular Weight | 345.13 g/mol |
| LogP | 5.1022 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.12958 |
| Heavy Atoms | 24 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 40528-23-2 |
|---|---|
| SMILES | C1CC2C3=CC=CC=C3C1N2CCCC(=O)C4=CC=C(C=C4)F.Cl |
| InChIKey | JKJYUMKEVPZTCO-UHFFFAOYSA-N |
Product Overview
1-(4-Fluorophenyl)-4-naphthalen-1,4-imin-9-yl-1-butanone hydrochloride (CAS 40528-23-2), with molecular formula C20H21ClFNO and molecular weight 345.13 g/mol. IUPAC: 4-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-1-(4-fluorophenyl)butan-1-one;hydrochloride.
Chemical Property Profile of 1-(4-Fluorophenyl)-4-naphthalen-1,4-imin-9-yl-1-butanone hydrochloride
Property Insights of 1-(4-Fluorophenyl)-4-naphthalen-1,4-imin-9-yl-1-butanone hydrochloride
The XLogP value of 5.1022 indicates that 1-(4-Fluorophenyl)-4-naphthalen-1,4-imin-9-yl-1-butanone hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 1-(4-Fluorophenyl)-4-naphthalen-1,4-imin-9-yl-1-butanone hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Fluorophenyl)-4-naphthalen-1,4-imin-9-yl-1-butanone hydrochloride has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-Fluorophenyl)-4-naphthalen-1,4-imin-9-yl-1-butanone hydrochloride?
The CAS number of 1-(4-Fluorophenyl)-4-naphthalen-1,4-imin-9-yl-1-butanone hydrochloride is 40528-23-2.
What is the molecular formula of 1-(4-Fluorophenyl)-4-naphthalen-1,4-imin-9-yl-1-butanone hydrochloride?
The molecular formula of 1-(4-Fluorophenyl)-4-naphthalen-1,4-imin-9-yl-1-butanone hydrochloride is C20H21ClFNO.
What is the molecular weight of 1-(4-Fluorophenyl)-4-naphthalen-1,4-imin-9-yl-1-butanone hydrochloride?
The molecular weight of 1-(4-Fluorophenyl)-4-naphthalen-1,4-imin-9-yl-1-butanone hydrochloride is 345.13 g/mol.
Where can I buy 1-(4-Fluorophenyl)-4-naphthalen-1,4-imin-9-yl-1-butanone hydrochloride?
You can request a quote for 1-(4-Fluorophenyl)-4-naphthalen-1,4-imin-9-yl-1-butanone hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Fluorophenyl)-4-naphthalen-1,4-imin-9-yl-1-butanone hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Fluorophenyl)-4-naphthalen-1,4-imin-9-yl-1-butanone hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.