![N-{[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl}-4-methyl-3-nitrobenzamide structure](/static/products/688/688012-71-7.png)
N-{[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl}-4-methyl-3-nitrobenzamide
TL;DR: N-{[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl}-4-methyl-3-nitrobenzamide (CAS 688012-71-7) is a chemical compound with molecular formula C21H23N5O4S and molecular weight 441.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-4-methyl-3-nitrobenzamide
Also Known As: N-{[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl}-4-methyl-3-nitrobenzamide, 1-[4-(4-Acetyl-piperazin-1-yl)-phenyl]-3-(4-methyl-3-nitro-benzoyl)-thiourea, 1-[4-(4-ACETYLPIPERAZIN-1-YL)PHENYL]-3-(4-METHYL-3-NITROBENZOYL)THIOUREA, N-((4-(4-acetylpiperazin-1-yl)phenyl)carbamothioyl)-4-methyl-3-nitrobenzamide, N-({[4-(4-acetylpiperazinyl)phenyl]amino}thioxomethyl)(4-methyl-3-nitrophenyl) carboxamide
| Molecular Formula | C21H23N5O4S |
|---|---|
| Molecular Weight | 441.15 g/mol |
| LogP | 2.69852 |
| Topological Polar Surface Area | 107.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.14706 |
| Heavy Atoms | 31 |
| Complexity | 1016.9302 |
Chemical Identifiers
| CAS Number | 688012-71-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-] |
Product Overview
N-{[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl}-4-methyl-3-nitrobenzamide (CAS 688012-71-7), with molecular formula C21H23N5O4S and molecular weight 441.15 g/mol. IUPAC: N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-4-methyl-3-nitrobenzamide.
Chemical Property Profile of N-{[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl}-4-methyl-3-nitrobenzamide
Property Insights of N-{[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl}-4-methyl-3-nitrobenzamide
The XLogP value of 2.69852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl}-4-methyl-3-nitrobenzamide. The TPSA of 107.82 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl}-4-methyl-3-nitrobenzamide. Following Lipinski's Rule of Five, N-{[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl}-4-methyl-3-nitrobenzamide has 2 hydrogen bond donor(s) and 6 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-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl}-4-methyl-3-nitrobenzamide?
The CAS number of N-{[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl}-4-methyl-3-nitrobenzamide is 688012-71-7.
What is the molecular formula of N-{[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl}-4-methyl-3-nitrobenzamide?
The molecular formula of N-{[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl}-4-methyl-3-nitrobenzamide is C21H23N5O4S.
What is the molecular weight of N-{[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl}-4-methyl-3-nitrobenzamide?
The molecular weight of N-{[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl}-4-methyl-3-nitrobenzamide is 441.15 g/mol.
Where can I buy N-{[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl}-4-methyl-3-nitrobenzamide?
You can request a quote for N-{[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl}-4-methyl-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl}-4-methyl-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl}-4-methyl-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.