(Benzylamino)(4-(2-pyridyl)piperazinyl)methane-1-thione
TL;DR: (Benzylamino)(4-(2-pyridyl)piperazinyl)methane-1-thione (CAS 454230-46-7) is a chemical compound with molecular formula C17H20N4S and molecular weight 312.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-4-pyridin-2-ylpiperazine-1-carbothioamide
Also Known As: N-benzyl-4-(pyridin-2-yl)piperazine-1-carbothioamide, (BENZYLAMINO)(4-(2-PYRIDYL)PIPERAZINYL)METHANE-1-THIONE, N-benzyl-4-pyridin-2-ylpiperazine-1-carbothioamide, AO-990/15068190, N-benzyl-4-(2-pyridinyl)-1-piperazinecarbothioamide
| Molecular Formula | C17H20N4S |
|---|---|
| Molecular Weight | 312.14 g/mol |
| LogP | 2.2783 |
| Topological Polar Surface Area | 31.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.14087 |
| Heavy Atoms | 22 |
| Complexity | 594.5707 |
Chemical Identifiers
| CAS Number | 454230-46-7 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=N2)C(=S)NCC3=CC=CC=C3 |
Product Overview
(Benzylamino)(4-(2-pyridyl)piperazinyl)methane-1-thione (CAS 454230-46-7), with molecular formula C17H20N4S and molecular weight 312.14 g/mol. IUPAC: N-benzyl-4-pyridin-2-ylpiperazine-1-carbothioamide.
Chemical Property Profile of (Benzylamino)(4-(2-pyridyl)piperazinyl)methane-1-thione
Property Insights of (Benzylamino)(4-(2-pyridyl)piperazinyl)methane-1-thione
The XLogP value of 2.2783 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Benzylamino)(4-(2-pyridyl)piperazinyl)methane-1-thione. With a topological polar surface area (TPSA) of 31.4 Ų, (Benzylamino)(4-(2-pyridyl)piperazinyl)methane-1-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Benzylamino)(4-(2-pyridyl)piperazinyl)methane-1-thione has 1 hydrogen bond donor(s) and 3 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 (Benzylamino)(4-(2-pyridyl)piperazinyl)methane-1-thione?
The CAS number of (Benzylamino)(4-(2-pyridyl)piperazinyl)methane-1-thione is 454230-46-7.
What is the molecular formula of (Benzylamino)(4-(2-pyridyl)piperazinyl)methane-1-thione?
The molecular formula of (Benzylamino)(4-(2-pyridyl)piperazinyl)methane-1-thione is C17H20N4S.
What is the molecular weight of (Benzylamino)(4-(2-pyridyl)piperazinyl)methane-1-thione?
The molecular weight of (Benzylamino)(4-(2-pyridyl)piperazinyl)methane-1-thione is 312.14 g/mol.
Where can I buy (Benzylamino)(4-(2-pyridyl)piperazinyl)methane-1-thione?
You can request a quote for (Benzylamino)(4-(2-pyridyl)piperazinyl)methane-1-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Benzylamino)(4-(2-pyridyl)piperazinyl)methane-1-thione?
Yes, KEHONG BIO provides custom synthesis services for (Benzylamino)(4-(2-pyridyl)piperazinyl)methane-1-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.