N-benzyl-4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carbothioamide
TL;DR: N-benzyl-4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carbothioamide (CAS 903585-70-6) is a chemical compound with molecular formula C23H27N5S and molecular weight 405.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carbothioamide
Also Known As: N-benzyl-4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carbothioamide
| Molecular Formula | C23H27N5S |
|---|---|
| Molecular Weight | 405.20 g/mol |
| LogP | 3.3372 |
| Topological Polar Surface Area | 55.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.19873 |
| Heavy Atoms | 29 |
| Complexity | 926.5198 |
Chemical Identifiers
| CAS Number | 903585-70-6 |
|---|---|
| SMILES | CC1=C2CCCCC2=C(C(=N1)N3CCN(CC3)C(=S)NCC4=CC=CC=C4)C#N |
Product Overview
N-benzyl-4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carbothioamide (CAS 903585-70-6), with molecular formula C23H27N5S and molecular weight 405.20 g/mol. IUPAC: N-benzyl-4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carbothioamide.
Chemical Property Profile of N-benzyl-4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carbothioamide
Property Insights of N-benzyl-4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carbothioamide
The XLogP value of 3.3372 indicates that N-benzyl-4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-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, N-benzyl-4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-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 N-benzyl-4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carbothioamide?
The CAS number of N-benzyl-4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carbothioamide is 903585-70-6.
What is the molecular formula of N-benzyl-4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carbothioamide?
The molecular formula of N-benzyl-4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carbothioamide is C23H27N5S.
What is the molecular weight of N-benzyl-4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carbothioamide?
The molecular weight of N-benzyl-4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carbothioamide is 405.20 g/mol.
Where can I buy N-benzyl-4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carbothioamide?
You can request a quote for N-benzyl-4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.