N-(furan-2-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide
TL;DR: N-(furan-2-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide (CAS 701949-03-3) is a chemical compound with molecular formula C14H17N5OS and molecular weight 303.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(furan-2-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide
Also Known As: CBKinase1_007246, CBKinase1_019646, BRD-K82868642-001-01-8, N-(furan-2-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide, [(2-furylmethyl)amino](4-pyrimidin-2-ylpiperazinyl)methane-1-thione
| Molecular Formula | C14H17N5OS |
|---|---|
| Molecular Weight | 303.12 g/mol |
| LogP | 1.2663 |
| Topological Polar Surface Area | 57.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.1154 |
| Heavy Atoms | 21 |
| Complexity | 566.315 |
Chemical Identifiers
| CAS Number | 701949-03-3 |
|---|---|
| SMILES | C1CN(CCN1C2=NC=CC=N2)C(=S)NCC3=CC=CO3 |
Product Overview
N-(furan-2-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide (CAS 701949-03-3), with molecular formula C14H17N5OS and molecular weight 303.12 g/mol. IUPAC: N-(furan-2-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide.
Chemical Property Profile of N-(furan-2-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide
Property Insights of N-(furan-2-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide
The XLogP value of 1.2663 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(furan-2-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide. With a topological polar surface area (TPSA) of 57.43 Ų, N-(furan-2-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(furan-2-ylmethyl)-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-(furan-2-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
The CAS number of N-(furan-2-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide is 701949-03-3.
What is the molecular formula of N-(furan-2-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
The molecular formula of N-(furan-2-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide is C14H17N5OS.
What is the molecular weight of N-(furan-2-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
The molecular weight of N-(furan-2-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide is 303.12 g/mol.
Where can I buy N-(furan-2-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
You can request a quote for N-(furan-2-ylmethyl)-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-(furan-2-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(furan-2-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.