![[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone structure](/static/products/6631/663164-33-8.webp)
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone
TL;DR: [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone (CAS 663164-33-8) is a chemical compound with molecular formula C28H30ClN3O and molecular weight 459.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone
Also Known As: [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone|[4-(5-chloro-2-methylphenyl)piperazin-1-yl][4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)phenyl]methanone
| Molecular Formula | C28H30ClN3O |
|---|---|
| Molecular Weight | 459.21 g/mol |
| LogP | 5.16912 |
| Topological Polar Surface Area | 26.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 459.20773 |
| Heavy Atoms | 33 |
| Complexity | 1136.1344 |
Chemical Identifiers
| CAS Number | 663164-33-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4CCC5=CC=CC=C5C4 |
Product Overview
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone (CAS 663164-33-8), with molecular formula C28H30ClN3O and molecular weight 459.21 g/mol. IUPAC: [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone.
Chemical Property Profile of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone
Property Insights of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone
The XLogP value of 5.16912 indicates that [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.79 Ų, [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone has 0 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 [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone?
The CAS number of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone is 663164-33-8.
What is the molecular formula of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone?
The molecular formula of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone is C28H30ClN3O.
What is the molecular weight of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone?
The molecular weight of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone is 459.21 g/mol.
Where can I buy [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone?
You can request a quote for [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone?
Yes, KEHONG BIO provides custom synthesis services for [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.