N-(3,5-difluorophenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide
TL;DR: N-(3,5-difluorophenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide (CAS 838901-98-7) is a chemical compound with molecular formula C15H15F2N5S and molecular weight 335.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,5-difluorophenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide
Also Known As: N-(3,5-difluorophenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide, [(3,5-difluorophenyl)amino](4-pyrimidin-2-ylpiperazinyl)methane-1-thione, N-(3,5-difluorophenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide, N-(3,5-difluorophenyl)-4-(pyrimidin-2-yl)piperazine-1-carbothioamide, N-(3,5-DIFLUOROPHENYL)-4-(2-PYRIMIDINYL)TETRAHYDRO-1(2H)-PYRAZINECARBOTHIOAMIDE
| Molecular Formula | C15H15F2N5S |
|---|---|
| Molecular Weight | 335.10 g/mol |
| LogP | 2.2738 |
| Topological Polar Surface Area | 44.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.10162 |
| Heavy Atoms | 23 |
| Complexity | 669.27155 |
Chemical Identifiers
| CAS Number | 838901-98-7 |
|---|---|
| SMILES | C1CN(CCN1C2=NC=CC=N2)C(=S)NC3=CC(=CC(=C3)F)F |
Product Overview
N-(3,5-difluorophenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide (CAS 838901-98-7), with molecular formula C15H15F2N5S and molecular weight 335.10 g/mol. IUPAC: N-(3,5-difluorophenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide.
Chemical Property Profile of N-(3,5-difluorophenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide
Property Insights of N-(3,5-difluorophenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide
The XLogP value of 2.2738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3,5-difluorophenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide. With a topological polar surface area (TPSA) of 44.29 Ų, N-(3,5-difluorophenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3,5-difluorophenyl)-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-(3,5-difluorophenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
The CAS number of N-(3,5-difluorophenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide is 838901-98-7.
What is the molecular formula of N-(3,5-difluorophenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
The molecular formula of N-(3,5-difluorophenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide is C15H15F2N5S.
What is the molecular weight of N-(3,5-difluorophenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
The molecular weight of N-(3,5-difluorophenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide is 335.10 g/mol.
Where can I buy N-(3,5-difluorophenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
You can request a quote for N-(3,5-difluorophenyl)-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-(3,5-difluorophenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,5-difluorophenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.