N-((4-(4-acetylpiperazin-1-yl)phenyl)carbamothioyl)-4-methoxy-3-nitrobenzamide
TL;DR: N-((4-(4-acetylpiperazin-1-yl)phenyl)carbamothioyl)-4-methoxy-3-nitrobenzamide (CAS 688012-45-5) is a chemical compound with molecular formula C21H23N5O5S and molecular weight 457.14 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-methoxy-3-nitrobenzamide
Also Known As: 1-[4-(4-Acetyl-piperazin-1-yl)-phenyl]-3-(4-methoxy-3-nitro-benzoyl)-thiourea, N-((4-(4-acetylpiperazin-1-yl)phenyl)carbamothioyl)-4-methoxy-3-nitrobenzamide, N-({[4-(4-acetylpiperazinyl)phenyl]amino}thioxomethyl)(4-methoxy-3-nitrophenyl )carboxamide, N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide, N-{[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl}-4-methoxy-3-nitrobenzamide
| Molecular Formula | C21H23N5O5S |
|---|---|
| Molecular Weight | 457.14 g/mol |
| LogP | 2.3987 |
| Topological Polar Surface Area | 117.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.142 |
| Heavy Atoms | 32 |
| Complexity | 1035.376 |
Chemical Identifiers
| CAS Number | 688012-45-5 |
|---|---|
| SMILES | CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-] |
Product Overview
N-((4-(4-acetylpiperazin-1-yl)phenyl)carbamothioyl)-4-methoxy-3-nitrobenzamide (CAS 688012-45-5), with molecular formula C21H23N5O5S and molecular weight 457.14 g/mol. IUPAC: N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide.
Chemical Property Profile of N-((4-(4-acetylpiperazin-1-yl)phenyl)carbamothioyl)-4-methoxy-3-nitrobenzamide
Property Insights of N-((4-(4-acetylpiperazin-1-yl)phenyl)carbamothioyl)-4-methoxy-3-nitrobenzamide
The XLogP value of 2.3987 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((4-(4-acetylpiperazin-1-yl)phenyl)carbamothioyl)-4-methoxy-3-nitrobenzamide. The TPSA of 117.05 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((4-(4-acetylpiperazin-1-yl)phenyl)carbamothioyl)-4-methoxy-3-nitrobenzamide. Following Lipinski's Rule of Five, N-((4-(4-acetylpiperazin-1-yl)phenyl)carbamothioyl)-4-methoxy-3-nitrobenzamide has 2 hydrogen bond donor(s) and 7 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-methoxy-3-nitrobenzamide?
The CAS number of N-((4-(4-acetylpiperazin-1-yl)phenyl)carbamothioyl)-4-methoxy-3-nitrobenzamide is 688012-45-5.
What is the molecular formula of N-((4-(4-acetylpiperazin-1-yl)phenyl)carbamothioyl)-4-methoxy-3-nitrobenzamide?
The molecular formula of N-((4-(4-acetylpiperazin-1-yl)phenyl)carbamothioyl)-4-methoxy-3-nitrobenzamide is C21H23N5O5S.
What is the molecular weight of N-((4-(4-acetylpiperazin-1-yl)phenyl)carbamothioyl)-4-methoxy-3-nitrobenzamide?
The molecular weight of N-((4-(4-acetylpiperazin-1-yl)phenyl)carbamothioyl)-4-methoxy-3-nitrobenzamide is 457.14 g/mol.
Where can I buy N-((4-(4-acetylpiperazin-1-yl)phenyl)carbamothioyl)-4-methoxy-3-nitrobenzamide?
You can request a quote for N-((4-(4-acetylpiperazin-1-yl)phenyl)carbamothioyl)-4-methoxy-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-methoxy-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-((4-(4-acetylpiperazin-1-yl)phenyl)carbamothioyl)-4-methoxy-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.