![4-(5-chloro-2-methylphenyl)-N-[4-(propan-2-yl)phenyl]piperazine-1-carbothioamide structure](/static/products/904/904662-37-9.png)
4-(5-chloro-2-methylphenyl)-N-[4-(propan-2-yl)phenyl]piperazine-1-carbothioamide
TL;DR: 4-(5-chloro-2-methylphenyl)-N-[4-(propan-2-yl)phenyl]piperazine-1-carbothioamide (CAS 904662-37-9) is a chemical compound with molecular formula C21H26ClN3S and molecular weight 387.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-chloro-2-methylphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carbothioamide
Also Known As: 4-(5-chloro-2-methylphenyl)-N-[4-(propan-2-yl)phenyl]piperazine-1-carbothioamide, 4-(5-chloro-2-methylphenyl)-N-(4-isopropylphenyl)tetrahydro-1(2H)-pyrazinecarbothioamide, 4-(5-chloro-2-methylphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carbothioamide, 4-(5-chloro-2-methyl-phenyl)-N-(4-isopropylphenyl)piperazine-1-carbothioamide, 4-(5-chloro-2-methyl-phenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carbothioamide
| Molecular Formula | C21H26ClN3S |
|---|---|
| Molecular Weight | 387.15 g/mol |
| LogP | 5.29082 |
| Topological Polar Surface Area | 18.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.1536 |
| Heavy Atoms | 26 |
| Complexity | 765.3257 |
Chemical Identifiers
| CAS Number | 904662-37-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)C(C)C |
Product Overview
4-(5-chloro-2-methylphenyl)-N-[4-(propan-2-yl)phenyl]piperazine-1-carbothioamide (CAS 904662-37-9), with molecular formula C21H26ClN3S and molecular weight 387.15 g/mol. IUPAC: 4-(5-chloro-2-methylphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carbothioamide.
Chemical Property Profile of 4-(5-chloro-2-methylphenyl)-N-[4-(propan-2-yl)phenyl]piperazine-1-carbothioamide
Property Insights of 4-(5-chloro-2-methylphenyl)-N-[4-(propan-2-yl)phenyl]piperazine-1-carbothioamide
The XLogP value of 5.29082 indicates that 4-(5-chloro-2-methylphenyl)-N-[4-(propan-2-yl)phenyl]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, 4-(5-chloro-2-methylphenyl)-N-[4-(propan-2-yl)phenyl]piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(5-chloro-2-methylphenyl)-N-[4-(propan-2-yl)phenyl]piperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(5-chloro-2-methylphenyl)-N-[4-(propan-2-yl)phenyl]piperazine-1-carbothioamide?
The CAS number of 4-(5-chloro-2-methylphenyl)-N-[4-(propan-2-yl)phenyl]piperazine-1-carbothioamide is 904662-37-9.
What is the molecular formula of 4-(5-chloro-2-methylphenyl)-N-[4-(propan-2-yl)phenyl]piperazine-1-carbothioamide?
The molecular formula of 4-(5-chloro-2-methylphenyl)-N-[4-(propan-2-yl)phenyl]piperazine-1-carbothioamide is C21H26ClN3S.
What is the molecular weight of 4-(5-chloro-2-methylphenyl)-N-[4-(propan-2-yl)phenyl]piperazine-1-carbothioamide?
The molecular weight of 4-(5-chloro-2-methylphenyl)-N-[4-(propan-2-yl)phenyl]piperazine-1-carbothioamide is 387.15 g/mol.
Where can I buy 4-(5-chloro-2-methylphenyl)-N-[4-(propan-2-yl)phenyl]piperazine-1-carbothioamide?
You can request a quote for 4-(5-chloro-2-methylphenyl)-N-[4-(propan-2-yl)phenyl]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 4-(5-chloro-2-methylphenyl)-N-[4-(propan-2-yl)phenyl]piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-chloro-2-methylphenyl)-N-[4-(propan-2-yl)phenyl]piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.