![2-nitro-N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide structure](/static/products/817/817187-74-9.png)
2-nitro-N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide
TL;DR: 2-nitro-N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide (CAS 817187-74-9) is a chemical compound with molecular formula C17H18N4O5S2 and molecular weight 422.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide
Also Known As: 2-nitro-N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide, 2-nitro-N-[[4-(propan-2-ylsulfamoyl)phenyl]thiocarbamoyl]benzamide, N-[[[4-[[(1-Methylethyl)amino]sulfonyl]phenyl]amino]thioxomethyl]-2-nitrobenzamide, 2-Nitro-N-({4-[(propan-2-yl)sulfamoyl]phenyl}carbamothioyl)benzamide
| Molecular Formula | C17H18N4O5S2 |
|---|---|
| Molecular Weight | 422.07 g/mol |
| LogP | 2.4083 |
| Topological Polar Surface Area | 130.44 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.07187 |
| Heavy Atoms | 28 |
| Complexity | 1004.46277 |
Chemical Identifiers
| CAS Number | 817187-74-9 |
|---|---|
| SMILES | CC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-] |
Product Overview
2-nitro-N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide (CAS 817187-74-9), with molecular formula C17H18N4O5S2 and molecular weight 422.07 g/mol. IUPAC: 2-nitro-N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide.
Chemical Property Profile of 2-nitro-N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide
Property Insights of 2-nitro-N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide
The XLogP value of 2.4083 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-nitro-N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide. The TPSA of 130.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-nitro-N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide. Following Lipinski's Rule of Five, 2-nitro-N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide has 3 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 2-nitro-N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide?
The CAS number of 2-nitro-N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide is 817187-74-9.
What is the molecular formula of 2-nitro-N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide?
The molecular formula of 2-nitro-N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide is C17H18N4O5S2.
What is the molecular weight of 2-nitro-N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide?
The molecular weight of 2-nitro-N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide is 422.07 g/mol.
Where can I buy 2-nitro-N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide?
You can request a quote for 2-nitro-N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-nitro-N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-nitro-N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.