4-(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-phenylpiperazine-1-carbothioamide
TL;DR: 4-(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-phenylpiperazine-1-carbothioamide (CAS 384366-87-4) is a chemical compound with molecular formula C24H29N5S and molecular weight 419.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-phenylpiperazine-1-carbothioamide
Also Known As: 4-(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-phenylpiperazine-1-carbothioamide, 4-(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-phenyl-piperazine-1-carbothioamide, 4-(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-phenylpiperazine-1-carbothioamide, 4-[4-cyano-1-(propan-2-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]-N-phenylpiperazine-1-carbothioamide
| Molecular Formula | C24H29N5S |
|---|---|
| Molecular Weight | 419.21 g/mol |
| LogP | 4.47448 |
| Topological Polar Surface Area | 55.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.21436 |
| Heavy Atoms | 30 |
| Complexity | 955.79694 |
Chemical Identifiers
| CAS Number | 384366-87-4 |
|---|---|
| SMILES | CC(C)C1=NC(=C(C2=C1CCCC2)C#N)N3CCN(CC3)C(=S)NC4=CC=CC=C4 |
Product Overview
4-(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-phenylpiperazine-1-carbothioamide (CAS 384366-87-4), with molecular formula C24H29N5S and molecular weight 419.21 g/mol. IUPAC: 4-(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-phenylpiperazine-1-carbothioamide.
Chemical Property Profile of 4-(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-phenylpiperazine-1-carbothioamide
Property Insights of 4-(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-phenylpiperazine-1-carbothioamide
The XLogP value of 4.47448 indicates that 4-(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-phenylpiperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.19 Ų, 4-(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-phenylpiperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-phenylpiperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 4 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 4-(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-phenylpiperazine-1-carbothioamide?
The CAS number of 4-(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-phenylpiperazine-1-carbothioamide is 384366-87-4.
What is the molecular formula of 4-(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-phenylpiperazine-1-carbothioamide?
The molecular formula of 4-(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-phenylpiperazine-1-carbothioamide is C24H29N5S.
What is the molecular weight of 4-(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-phenylpiperazine-1-carbothioamide?
The molecular weight of 4-(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-phenylpiperazine-1-carbothioamide is 419.21 g/mol.
Where can I buy 4-(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-phenylpiperazine-1-carbothioamide?
You can request a quote for 4-(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-phenylpiperazine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-phenylpiperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-phenylpiperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.