![N-[1-(1-adamantyl)ethyl]-4-(3-chlorophenyl)piperazine-1-carbothioamide structure](/static/products/5213/521327-84-4.webp)
N-[1-(1-adamantyl)ethyl]-4-(3-chlorophenyl)piperazine-1-carbothioamide
TL;DR: N-[1-(1-adamantyl)ethyl]-4-(3-chlorophenyl)piperazine-1-carbothioamide (CAS 521327-84-4) is a chemical compound with molecular formula C23H32ClN3S and molecular weight 417.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(1-adamantyl)ethyl]-4-(3-chlorophenyl)piperazine-1-carbothioamide
Also Known As: 4-(3-chlorophenyl)-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]piperazine-1-carbothioamide, N-[1-(1-adamantyl)ethyl]-4-(3-chlorophenyl)piperazine-1-carbothioamide, N-(1-((3r,5r,7r)-adamantan-1-yl)ethyl)-4-(3-chlorophenyl)piperazine-1-carbothioamide
| Molecular Formula | C23H32ClN3S |
|---|---|
| Molecular Weight | 417.20 g/mol |
| LogP | 4.9414 |
| Topological Polar Surface Area | 18.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.20056 |
| Heavy Atoms | 28 |
| Complexity | 707.8337 |
Chemical Identifiers
| CAS Number | 521327-84-4 |
|---|---|
| SMILES | CC(C12CC3CC(C1)CC(C3)C2)NC(=S)N4CCN(CC4)C5=CC(=CC=C5)Cl |
Product Overview
N-[1-(1-adamantyl)ethyl]-4-(3-chlorophenyl)piperazine-1-carbothioamide (CAS 521327-84-4), with molecular formula C23H32ClN3S and molecular weight 417.20 g/mol. IUPAC: N-[1-(1-adamantyl)ethyl]-4-(3-chlorophenyl)piperazine-1-carbothioamide.
Chemical Property Profile of N-[1-(1-adamantyl)ethyl]-4-(3-chlorophenyl)piperazine-1-carbothioamide
Property Insights of N-[1-(1-adamantyl)ethyl]-4-(3-chlorophenyl)piperazine-1-carbothioamide
The XLogP value of 4.9414 indicates that N-[1-(1-adamantyl)ethyl]-4-(3-chlorophenyl)piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.51 Ų, N-[1-(1-adamantyl)ethyl]-4-(3-chlorophenyl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[1-(1-adamantyl)ethyl]-4-(3-chlorophenyl)piperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 2 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-[1-(1-adamantyl)ethyl]-4-(3-chlorophenyl)piperazine-1-carbothioamide?
The CAS number of N-[1-(1-adamantyl)ethyl]-4-(3-chlorophenyl)piperazine-1-carbothioamide is 521327-84-4.
What is the molecular formula of N-[1-(1-adamantyl)ethyl]-4-(3-chlorophenyl)piperazine-1-carbothioamide?
The molecular formula of N-[1-(1-adamantyl)ethyl]-4-(3-chlorophenyl)piperazine-1-carbothioamide is C23H32ClN3S.
What is the molecular weight of N-[1-(1-adamantyl)ethyl]-4-(3-chlorophenyl)piperazine-1-carbothioamide?
The molecular weight of N-[1-(1-adamantyl)ethyl]-4-(3-chlorophenyl)piperazine-1-carbothioamide is 417.20 g/mol.
Where can I buy N-[1-(1-adamantyl)ethyl]-4-(3-chlorophenyl)piperazine-1-carbothioamide?
You can request a quote for N-[1-(1-adamantyl)ethyl]-4-(3-chlorophenyl)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-[1-(1-adamantyl)ethyl]-4-(3-chlorophenyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-[1-(1-adamantyl)ethyl]-4-(3-chlorophenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.