N-(4-phenoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide
TL;DR: N-(4-phenoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide (CAS 455308-33-5) is a chemical compound with molecular formula C21H21N5OS and molecular weight 391.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-phenoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide
Also Known As: AJ-292/42034519, N-(4-phenoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide, N-(4-phenoxyphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide, N-(4-phenoxyphenyl)-4-(pyrimidin-2-yl)piperazine-1-carbothioamide, [(4-phenoxyphenyl)amino](4-pyrimidin-2-ylpiperazinyl)methane-1-thione
| Molecular Formula | C21H21N5OS |
|---|---|
| Molecular Weight | 391.15 g/mol |
| LogP | 3.7879 |
| Topological Polar Surface Area | 53.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.14667 |
| Heavy Atoms | 28 |
| Complexity | 897.09863 |
Chemical Identifiers
| CAS Number | 455308-33-5 |
|---|---|
| SMILES | C1CN(CCN1C2=NC=CC=N2)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4 |
Product Overview
N-(4-phenoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide (CAS 455308-33-5), with molecular formula C21H21N5OS and molecular weight 391.15 g/mol. IUPAC: N-(4-phenoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide.
Chemical Property Profile of N-(4-phenoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide
Property Insights of N-(4-phenoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide
The XLogP value of 3.7879 indicates that N-(4-phenoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.52 Ų, N-(4-phenoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-phenoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 5 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-(4-phenoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
The CAS number of N-(4-phenoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide is 455308-33-5.
What is the molecular formula of N-(4-phenoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
The molecular formula of N-(4-phenoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide is C21H21N5OS.
What is the molecular weight of N-(4-phenoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
The molecular weight of N-(4-phenoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide is 391.15 g/mol.
Where can I buy N-(4-phenoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
You can request a quote for N-(4-phenoxyphenyl)-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-(4-phenoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-phenoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.