![N-[(4-benzylpiperazin-1-yl)carbonothioyl]pyridine-3-carboxamide structure](/static/products/334/334503-39-8.png)
N-[(4-benzylpiperazin-1-yl)carbonothioyl]pyridine-3-carboxamide
TL;DR: N-[(4-benzylpiperazin-1-yl)carbonothioyl]pyridine-3-carboxamide (CAS 334503-39-8) is a chemical compound with molecular formula C18H20N4OS and molecular weight 340.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-benzylpiperazine-1-carbothioyl)pyridine-3-carboxamide
Also Known As: BAS 01066946, N-(4-benzylpiperazine-1-carbonothioyl)nicotinamide, N-(4-Benzyl-piperazine-1-carbothioyl)-nicotinamide, N-(4-benzylpiperazine-1-carbothioyl)pyridine-3-carboxamide, N-[(4-benzylpiperazin-1-yl)carbonothioyl]pyridine-3-carboxamide
| Molecular Formula | C18H20N4OS |
|---|---|
| Molecular Weight | 340.14 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 80.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.13577 |
| Heavy Atoms | 24 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 334503-39-8 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=S)NC(=O)C3=CN=CC=C3 |
| InChIKey | ZDDZQOIQZVWQJT-UHFFFAOYSA-N |
Product Overview
N-[(4-benzylpiperazin-1-yl)carbonothioyl]pyridine-3-carboxamide (CAS 334503-39-8), with molecular formula C18H20N4OS and molecular weight 340.14 g/mol. IUPAC: N-(4-benzylpiperazine-1-carbothioyl)pyridine-3-carboxamide.
Chemical Property Profile of N-[(4-benzylpiperazin-1-yl)carbonothioyl]pyridine-3-carboxamide
Property Insights of N-[(4-benzylpiperazin-1-yl)carbonothioyl]pyridine-3-carboxamide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4-benzylpiperazin-1-yl)carbonothioyl]pyridine-3-carboxamide. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-benzylpiperazin-1-yl)carbonothioyl]pyridine-3-carboxamide. Following Lipinski's Rule of Five, N-[(4-benzylpiperazin-1-yl)carbonothioyl]pyridine-3-carboxamide 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-benzylpiperazin-1-yl)carbonothioyl]pyridine-3-carboxamide?
The CAS number of N-[(4-benzylpiperazin-1-yl)carbonothioyl]pyridine-3-carboxamide is 334503-39-8.
What is the molecular formula of N-[(4-benzylpiperazin-1-yl)carbonothioyl]pyridine-3-carboxamide?
The molecular formula of N-[(4-benzylpiperazin-1-yl)carbonothioyl]pyridine-3-carboxamide is C18H20N4OS.
What is the molecular weight of N-[(4-benzylpiperazin-1-yl)carbonothioyl]pyridine-3-carboxamide?
The molecular weight of N-[(4-benzylpiperazin-1-yl)carbonothioyl]pyridine-3-carboxamide is 340.14 g/mol.
Where can I buy N-[(4-benzylpiperazin-1-yl)carbonothioyl]pyridine-3-carboxamide?
You can request a quote for N-[(4-benzylpiperazin-1-yl)carbonothioyl]pyridine-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-benzylpiperazin-1-yl)carbonothioyl]pyridine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-benzylpiperazin-1-yl)carbonothioyl]pyridine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.