![2-(1-adamantyl)-N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]acetamide structure](/static/products/5333/5333-98-2.webp)
2-(1-adamantyl)-N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]acetamide
TL;DR: 2-(1-adamantyl)-N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]acetamide (CAS 5333-98-2) is a chemical compound with molecular formula C30H37ClN4OS and molecular weight 536.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-adamantyl)-N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]acetamide
Also Known As: 2-(1-adamantyl)-N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]acetamide, 2-(1-adamantyl)-N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]thiocarbamoyl]acetamide
| Molecular Formula | C30H37ClN4OS |
|---|---|
| Molecular Weight | 536.24 g/mol |
| LogP | 6.0817 |
| Topological Polar Surface Area | 47.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 536.2377 |
| Heavy Atoms | 37 |
| Complexity | 1109.2411 |
Chemical Identifiers
| CAS Number | 5333-98-2 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2Cl)C3=CC=C(C=C3)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5 |
Product Overview
2-(1-adamantyl)-N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]acetamide (CAS 5333-98-2), with molecular formula C30H37ClN4OS and molecular weight 536.24 g/mol. IUPAC: 2-(1-adamantyl)-N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]acetamide.
Chemical Property Profile of 2-(1-adamantyl)-N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]acetamide
Property Insights of 2-(1-adamantyl)-N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]acetamide
The XLogP value of 6.0817 indicates that 2-(1-adamantyl)-N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.61 Ų, 2-(1-adamantyl)-N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-adamantyl)-N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]acetamide has 2 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 2-(1-adamantyl)-N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]acetamide?
The CAS number of 2-(1-adamantyl)-N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]acetamide is 5333-98-2.
What is the molecular formula of 2-(1-adamantyl)-N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]acetamide?
The molecular formula of 2-(1-adamantyl)-N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]acetamide is C30H37ClN4OS.
What is the molecular weight of 2-(1-adamantyl)-N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]acetamide?
The molecular weight of 2-(1-adamantyl)-N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]acetamide is 536.24 g/mol.
Where can I buy 2-(1-adamantyl)-N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]acetamide?
You can request a quote for 2-(1-adamantyl)-N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-adamantyl)-N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-adamantyl)-N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.