![3,5-ditert-butyl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide structure](/static/products/3314/331465-09-9.webp)
3,5-ditert-butyl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide
TL;DR: 3,5-ditert-butyl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide (CAS 331465-09-9) is a chemical compound with molecular formula C23H26N4O3S and molecular weight 438.17258 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-ditert-butyl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: BAS 00337546, 3,5-ditert-butyl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide, 3,5-bis(1,1-dimethylethyl)-N-(5-{4-nitrophenyl}-1,3,4-thiadiazol-2-yl)benzamide, 3,5-Di-tert-butyl-N-[5-(4-nitro-phenyl)-[1,3,4]thiadiazol-2-yl]-benzamide
Technical Specifications
| Molecular Formula | C23H26N4O3S |
| Molecular Weight | 438.17258 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.17258 Da |
| Heavy Atoms | 31 |
| Complexity | 625.0 |
| SMILES | CC(C)(C)C1=CC(=CC(=C1)C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)[N+](=O)[O-])C(C)(C)C |
| InChIKey | PEVYDJXZWVLCSY-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-ditert-butyl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide
Property Insights of 3,5-ditert-butyl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide
The XLogP value of 6.4 indicates that 3,5-ditert-butyl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-ditert-butyl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide. Following Lipinski's Rule of Five, 3,5-ditert-butyl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3,5-ditert-butyl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The CAS number of 3,5-ditert-butyl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide is 331465-09-9.
What is the molecular formula of 3,5-ditert-butyl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The molecular formula of 3,5-ditert-butyl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide is C23H26N4O3S.
What is the molecular weight of 3,5-ditert-butyl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The molecular weight of 3,5-ditert-butyl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide is 438.17258 g/mol.
Where can I buy 3,5-ditert-butyl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
You can request a quote for 3,5-ditert-butyl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-ditert-butyl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
Yes, CoreyChem provides custom synthesis services for 3,5-ditert-butyl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.