3-(4-(2-chlorobenzoyl)piperazin-1-yl)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
TL;DR: 3-(4-(2-chlorobenzoyl)piperazin-1-yl)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 371200-74-7) is a chemical compound with molecular formula C27H25ClN4O and molecular weight 456.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(2-chlorobenzoyl)piperazin-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 3-(4-(2-chlorobenzoyl)piperazin-1-yl)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-[4-(2-Chloro-benzoyl)-piperazin-1-yl]-1-phenyl-5,6,7,8-tetrahydro-isoquinoline-4-carbonitrile, 3-[4-(2-chlorobenzoyl)piperazin-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-{4-[(2-chlorophenyl)carbonyl]piperazin-1-yl}-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C27H25ClN4O |
|---|---|
| Molecular Weight | 456.17 g/mol |
| LogP | 5.11488 |
| Topological Polar Surface Area | 60.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 456.1717 |
| Heavy Atoms | 33 |
| Complexity | 1226.859 |
Chemical Identifiers
| CAS Number | 371200-74-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(N=C2C3=CC=CC=C3)N4CCN(CC4)C(=O)C5=CC=CC=C5Cl)C#N |
Product Overview
3-(4-(2-chlorobenzoyl)piperazin-1-yl)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 371200-74-7), with molecular formula C27H25ClN4O and molecular weight 456.17 g/mol. IUPAC: 3-[4-(2-chlorobenzoyl)piperazin-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 3-(4-(2-chlorobenzoyl)piperazin-1-yl)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Property Insights of 3-(4-(2-chlorobenzoyl)piperazin-1-yl)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
The XLogP value of 5.11488 indicates that 3-(4-(2-chlorobenzoyl)piperazin-1-yl)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-(2-chlorobenzoyl)piperazin-1-yl)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile. Following Lipinski's Rule of Five, 3-(4-(2-chlorobenzoyl)piperazin-1-yl)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-(2-chlorobenzoyl)piperazin-1-yl)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The CAS number of 3-(4-(2-chlorobenzoyl)piperazin-1-yl)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 371200-74-7.
What is the molecular formula of 3-(4-(2-chlorobenzoyl)piperazin-1-yl)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular formula of 3-(4-(2-chlorobenzoyl)piperazin-1-yl)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is C27H25ClN4O.
What is the molecular weight of 3-(4-(2-chlorobenzoyl)piperazin-1-yl)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular weight of 3-(4-(2-chlorobenzoyl)piperazin-1-yl)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 456.17 g/mol.
Where can I buy 3-(4-(2-chlorobenzoyl)piperazin-1-yl)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
You can request a quote for 3-(4-(2-chlorobenzoyl)piperazin-1-yl)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-(2-chlorobenzoyl)piperazin-1-yl)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(2-chlorobenzoyl)piperazin-1-yl)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.