![N-[(4-benzylpiperazin-1-yl)carbonothioyl]-4-bromobenzamide structure](/static/products/797/797764-10-4.png)
N-[(4-benzylpiperazin-1-yl)carbonothioyl]-4-bromobenzamide
TL;DR: N-[(4-benzylpiperazin-1-yl)carbonothioyl]-4-bromobenzamide (CAS 797764-10-4) is a chemical compound with molecular formula C19H20BrN3OS and molecular weight 417.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-benzylpiperazine-1-carbothioyl)-4-bromobenzamide
Also Known As: N-(4-benzylpiperazine-1-carbothioyl)-4-bromobenzamide, N-(4-benzylpiperazine-1-carbonothioyl)-4-bromobenzamide, N-(4-benzylpiperazine-1-carbothioyl)-4-bromo-benzamide, N-[(4-benzylpiperazin-1-yl)carbonothioyl]-4-bromobenzamide, N~1~-[(4-BENZYLPIPERAZINO)CARBOTHIOYL]-4-BROMOBENZAMIDE
| Molecular Formula | C19H20BrN3OS |
|---|---|
| Molecular Weight | 417.05 g/mol |
| LogP | 3.2816 |
| Topological Polar Surface Area | 35.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.05106 |
| Heavy Atoms | 25 |
| Complexity | 728.09424 |
Chemical Identifiers
| CAS Number | 797764-10-4 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=S)NC(=O)C3=CC=C(C=C3)Br |
Product Overview
N-[(4-benzylpiperazin-1-yl)carbonothioyl]-4-bromobenzamide (CAS 797764-10-4), with molecular formula C19H20BrN3OS and molecular weight 417.05 g/mol. IUPAC: N-(4-benzylpiperazine-1-carbothioyl)-4-bromobenzamide.
Chemical Property Profile of N-[(4-benzylpiperazin-1-yl)carbonothioyl]-4-bromobenzamide
Property Insights of N-[(4-benzylpiperazin-1-yl)carbonothioyl]-4-bromobenzamide
The XLogP value of 3.2816 indicates that N-[(4-benzylpiperazin-1-yl)carbonothioyl]-4-bromobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.58 Ų, N-[(4-benzylpiperazin-1-yl)carbonothioyl]-4-bromobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(4-benzylpiperazin-1-yl)carbonothioyl]-4-bromobenzamide 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-benzylpiperazin-1-yl)carbonothioyl]-4-bromobenzamide?
The CAS number of N-[(4-benzylpiperazin-1-yl)carbonothioyl]-4-bromobenzamide is 797764-10-4.
What is the molecular formula of N-[(4-benzylpiperazin-1-yl)carbonothioyl]-4-bromobenzamide?
The molecular formula of N-[(4-benzylpiperazin-1-yl)carbonothioyl]-4-bromobenzamide is C19H20BrN3OS.
What is the molecular weight of N-[(4-benzylpiperazin-1-yl)carbonothioyl]-4-bromobenzamide?
The molecular weight of N-[(4-benzylpiperazin-1-yl)carbonothioyl]-4-bromobenzamide is 417.05 g/mol.
Where can I buy N-[(4-benzylpiperazin-1-yl)carbonothioyl]-4-bromobenzamide?
You can request a quote for N-[(4-benzylpiperazin-1-yl)carbonothioyl]-4-bromobenzamide 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]-4-bromobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-benzylpiperazin-1-yl)carbonothioyl]-4-bromobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.