N-(4-benzylpiperazine-1-carbothioyl)benzamide
TL;DR: N-(4-benzylpiperazine-1-carbothioyl)benzamide (CAS 329795-86-0) is a chemical compound with molecular formula C19H21N3OS and molecular weight 339.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-benzylpiperazine-1-carbothioyl)benzamide
Also Known As: N-(4-benzylpiperazine-1-carbothioyl)benzamide, N-[(4-benzylpiperazino)carbothioyl]benzenecarboxamide, N-(4-benzylpiperazine-1-carbonothioyl)benzamide, N-[(4-benzylpiperazin-1-yl)carbonothioyl]benzamide, N-[(4-benzyl-1-piperazinyl)carbonothioyl]benzamide
| Molecular Formula | C19H21N3OS |
|---|---|
| Molecular Weight | 339.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.14053 |
| Heavy Atoms | 24 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 329795-86-0 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=S)NC(=O)C3=CC=CC=C3 |
| InChIKey | HQNDQGGVWZNHNZ-UHFFFAOYSA-N |
Product Overview
N-(4-benzylpiperazine-1-carbothioyl)benzamide (CAS 329795-86-0), with molecular formula C19H21N3OS and molecular weight 339.14 g/mol. IUPAC: N-(4-benzylpiperazine-1-carbothioyl)benzamide.
Chemical Property Profile of N-(4-benzylpiperazine-1-carbothioyl)benzamide
Property Insights of N-(4-benzylpiperazine-1-carbothioyl)benzamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-benzylpiperazine-1-carbothioyl)benzamide. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-benzylpiperazine-1-carbothioyl)benzamide. Following Lipinski's Rule of Five, N-(4-benzylpiperazine-1-carbothioyl)benzamide 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 N-(4-benzylpiperazine-1-carbothioyl)benzamide?
The CAS number of N-(4-benzylpiperazine-1-carbothioyl)benzamide is 329795-86-0.
What is the molecular formula of N-(4-benzylpiperazine-1-carbothioyl)benzamide?
The molecular formula of N-(4-benzylpiperazine-1-carbothioyl)benzamide is C19H21N3OS.
What is the molecular weight of N-(4-benzylpiperazine-1-carbothioyl)benzamide?
The molecular weight of N-(4-benzylpiperazine-1-carbothioyl)benzamide is 339.14 g/mol.
Where can I buy N-(4-benzylpiperazine-1-carbothioyl)benzamide?
You can request a quote for N-(4-benzylpiperazine-1-carbothioyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-benzylpiperazine-1-carbothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-benzylpiperazine-1-carbothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.