N-(4-butylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide
TL;DR: N-(4-butylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide (CAS 516466-31-2) is a chemical compound with molecular formula C19H25N5S and molecular weight 355.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-butylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide
Also Known As: N-(4-butylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide, N-(4-butylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide, N-(4-butylphenyl)-4-(pyrimidin-2-yl)piperazine-1-carbothioamide, [(4-butylphenyl)amino](4-pyrimidin-2-ylpiperazinyl)methane-1-thione, N-(4-BUTYLPHENYL)-4-(2-PYRIMIDINYL)TETRAHYDRO-1(2H)-PYRAZINECARBOTHIOAMIDE
| Molecular Formula | C19H25N5S |
|---|---|
| Molecular Weight | 355.18 g/mol |
| LogP | 3.3382 |
| Topological Polar Surface Area | 44.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.18307 |
| Heavy Atoms | 25 |
| Complexity | 665.97363 |
Chemical Identifiers
| CAS Number | 516466-31-2 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NC=CC=N3 |
Product Overview
N-(4-butylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide (CAS 516466-31-2), with molecular formula C19H25N5S and molecular weight 355.18 g/mol. IUPAC: N-(4-butylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide.
Chemical Property Profile of N-(4-butylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide
Property Insights of N-(4-butylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide
The XLogP value of 3.3382 indicates that N-(4-butylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.29 Ų, N-(4-butylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-butylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide 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-(4-butylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide?
The CAS number of N-(4-butylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide is 516466-31-2.
What is the molecular formula of N-(4-butylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide?
The molecular formula of N-(4-butylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide is C19H25N5S.
What is the molecular weight of N-(4-butylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide?
The molecular weight of N-(4-butylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide is 355.18 g/mol.
Where can I buy N-(4-butylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide?
You can request a quote for N-(4-butylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-butylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-butylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.