![4-tert-butyl-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide structure](/static/products/4288/428835-34-1.webp)
4-tert-butyl-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide
TL;DR: 4-tert-butyl-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide (CAS 428835-34-1) is a chemical compound with molecular formula C21H20N4O3S2 and molecular weight 440.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide
Also Known As: 4-tert-butyl-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide, 4-tert-butyl-N-{[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl}benzamide, N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]thiocarbamoyl]-4-tert-butyl-benzamide
| Molecular Formula | C21H20N4O3S2 |
|---|---|
| Molecular Weight | 440.10 g/mol |
| LogP | 5.1426 |
| Topological Polar Surface Area | 97.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 440.0977 |
| Heavy Atoms | 30 |
| Complexity | 1101.9393 |
Chemical Identifiers
| CAS Number | 428835-34-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
4-tert-butyl-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide (CAS 428835-34-1), with molecular formula C21H20N4O3S2 and molecular weight 440.10 g/mol. IUPAC: 4-tert-butyl-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide.
Chemical Property Profile of 4-tert-butyl-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide
Property Insights of 4-tert-butyl-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide
The XLogP value of 5.1426 indicates that 4-tert-butyl-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-tert-butyl-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide. Following Lipinski's Rule of Five, 4-tert-butyl-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-tert-butyl-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide?
The CAS number of 4-tert-butyl-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide is 428835-34-1.
What is the molecular formula of 4-tert-butyl-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide?
The molecular formula of 4-tert-butyl-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide is C21H20N4O3S2.
What is the molecular weight of 4-tert-butyl-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide?
The molecular weight of 4-tert-butyl-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide is 440.10 g/mol.
Where can I buy 4-tert-butyl-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide?
You can request a quote for 4-tert-butyl-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-butyl-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-butyl-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.