![2-(1-adamantyl)-N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]acetamide structure](/static/products/5932/593239-91-9.webp)
2-(1-adamantyl)-N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]acetamide
TL;DR: 2-(1-adamantyl)-N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]acetamide (CAS 593239-91-9) is a chemical compound with molecular formula C27H37ClN4O2S and molecular weight 516.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-adamantyl)-N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]acetamide
Also Known As: 2-(1-adamantyl)-N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]acetamide, 2-(1-adamantyl)-N-[[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]thiocarbamoyl]acetamide, 2-((3r,5r,7r)-adamantan-1-yl)-N-((4-(4-butyrylpiperazin-1-yl)-3-chlorophenyl)carbamothioyl)acetamide, N-{[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide
| Molecular Formula | C27H37ClN4O2S |
|---|---|
| Molecular Weight | 516.23 g/mol |
| LogP | 5.2082 |
| Topological Polar Surface Area | 64.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 516.2326 |
| Heavy Atoms | 35 |
| Complexity | 956.1092 |
Chemical Identifiers
| CAS Number | 593239-91-9 |
|---|---|
| SMILES | CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4)Cl |
Product Overview
2-(1-adamantyl)-N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]acetamide (CAS 593239-91-9), with molecular formula C27H37ClN4O2S and molecular weight 516.23 g/mol. IUPAC: 2-(1-adamantyl)-N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]acetamide.
Chemical Property Profile of 2-(1-adamantyl)-N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]acetamide
Property Insights of 2-(1-adamantyl)-N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]acetamide
The XLogP value of 5.2082 indicates that 2-(1-adamantyl)-N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-adamantyl)-N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]acetamide. Following Lipinski's Rule of Five, 2-(1-adamantyl)-N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]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-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]acetamide?
The CAS number of 2-(1-adamantyl)-N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]acetamide is 593239-91-9.
What is the molecular formula of 2-(1-adamantyl)-N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]acetamide?
The molecular formula of 2-(1-adamantyl)-N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]acetamide is C27H37ClN4O2S.
What is the molecular weight of 2-(1-adamantyl)-N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]acetamide?
The molecular weight of 2-(1-adamantyl)-N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]acetamide is 516.23 g/mol.
Where can I buy 2-(1-adamantyl)-N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]acetamide?
You can request a quote for 2-(1-adamantyl)-N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]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-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-adamantyl)-N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.