![2-bromo-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide structure](/static/products/5339/533918-33-1.webp)
2-bromo-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
TL;DR: 2-bromo-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide (CAS 533918-33-1) is a chemical compound with molecular formula C16H11BrN4O3S2 and molecular weight 449.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: 2-bromo-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide, 2-bromo-N-{5-[(4-nitrobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide
| Molecular Formula | C16H11BrN4O3S2 |
|---|---|
| Molecular Weight | 449.95 g/mol |
| LogP | 4.7534 |
| Topological Polar Surface Area | 98.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.9456 |
| Heavy Atoms | 26 |
| Complexity | 946.67773 |
Chemical Identifiers
| CAS Number | 533918-33-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)[N+](=O)[O-])Br |
Product Overview
2-bromo-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide (CAS 533918-33-1), with molecular formula C16H11BrN4O3S2 and molecular weight 449.95 g/mol. IUPAC: 2-bromo-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide.
Chemical Property Profile of 2-bromo-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
Property Insights of 2-bromo-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
The XLogP value of 4.7534 indicates that 2-bromo-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-bromo-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide. Following Lipinski's Rule of Five, 2-bromo-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide has 1 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 2-bromo-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide?
The CAS number of 2-bromo-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide is 533918-33-1.
What is the molecular formula of 2-bromo-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide?
The molecular formula of 2-bromo-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide is C16H11BrN4O3S2.
What is the molecular weight of 2-bromo-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide?
The molecular weight of 2-bromo-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide is 449.95 g/mol.
Where can I buy 2-bromo-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide?
You can request a quote for 2-bromo-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-bromo-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-bromo-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.