N-(2,4-dimethylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide
TL;DR: N-(2,4-dimethylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide (CAS 485363-83-5) is a chemical compound with molecular formula C17H21N5S and molecular weight 327.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-dimethylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide
Also Known As: VU0048526-1, N-(2,4-dimethylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide, [(2,4-dimethylphenyl)amino](4-pyrimidin-2-ylpiperazinyl)methane-1-thione, N-(2,4-dimethylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide, N-(2,4-dimethylphenyl)-4-(pyrimidin-2-yl)piperazine-1-carbothioamide
| Molecular Formula | C17H21N5S |
|---|---|
| Molecular Weight | 327.15 g/mol |
| LogP | 2.61244 |
| Topological Polar Surface Area | 44.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.15176 |
| Heavy Atoms | 23 |
| Complexity | 680.638 |
Chemical Identifiers
| CAS Number | 485363-83-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C3=NC=CC=N3)C |
Product Overview
N-(2,4-dimethylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide (CAS 485363-83-5), with molecular formula C17H21N5S and molecular weight 327.15 g/mol. IUPAC: N-(2,4-dimethylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide.
Chemical Property Profile of N-(2,4-dimethylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide
Property Insights of N-(2,4-dimethylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide
The XLogP value of 2.61244 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,4-dimethylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide. With a topological polar surface area (TPSA) of 44.29 Ų, N-(2,4-dimethylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2,4-dimethylphenyl)-4-pyrimidin-2-ylpiperazine-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-(2,4-dimethylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
The CAS number of N-(2,4-dimethylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide is 485363-83-5.
What is the molecular formula of N-(2,4-dimethylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
The molecular formula of N-(2,4-dimethylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide is C17H21N5S.
What is the molecular weight of N-(2,4-dimethylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
The molecular weight of N-(2,4-dimethylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide is 327.15 g/mol.
Where can I buy N-(2,4-dimethylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
You can request a quote for N-(2,4-dimethylphenyl)-4-pyrimidin-2-ylpiperazine-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-(2,4-dimethylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,4-dimethylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.