N-phenyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide
TL;DR: N-phenyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide (CAS 313381-02-1) is a chemical compound with molecular formula C15H17N5S and molecular weight 299.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-phenyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide
Also Known As: BAS 00867582, N-phenyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide, N-phenyl-4-(pyrimidin-2-yl)piperazine-1-carbothioamide, AB00096104-01, (phenylamino)(4-pyrimidin-2-ylpiperazinyl)methane-1-thione
| Molecular Formula | C15H17N5S |
|---|---|
| Molecular Weight | 299.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 76.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.12045 |
| Heavy Atoms | 21 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 313381-02-1 |
|---|---|
| SMILES | C1CN(CCN1C2=NC=CC=N2)C(=S)NC3=CC=CC=C3 |
| InChIKey | YGICDTRGACFXCD-UHFFFAOYSA-N |
Product Overview
N-phenyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide (CAS 313381-02-1), with molecular formula C15H17N5S and molecular weight 299.12 g/mol. IUPAC: N-phenyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide.
Chemical Property Profile of N-phenyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide
Property Insights of N-phenyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-phenyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-phenyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide. Following Lipinski's Rule of Five, N-phenyl-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-phenyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
The CAS number of N-phenyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide is 313381-02-1.
What is the molecular formula of N-phenyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
The molecular formula of N-phenyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide is C15H17N5S.
What is the molecular weight of N-phenyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
The molecular weight of N-phenyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide is 299.12 g/mol.
Where can I buy N-phenyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
You can request a quote for N-phenyl-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-phenyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-phenyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.