![2-bromo-N-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide structure](/static/products/6945/694501-22-9.webp)
2-bromo-N-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
TL;DR: 2-bromo-N-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide (CAS 694501-22-9) is a chemical compound with molecular formula C17H11BrFN3O2S2 and molecular weight 450.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-[5-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: 2-bromo-N-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide, 2-bromo-N-[5-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide, 2-bromo-N-[5-[2-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
| Molecular Formula | C17H11BrFN3O2S2 |
|---|---|
| Molecular Weight | 450.95 g/mol |
| LogP | 4.667 |
| Topological Polar Surface Area | 71.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.946 |
| Heavy Atoms | 26 |
| Complexity | 947.19086 |
Chemical Identifiers
| CAS Number | 694501-22-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=C(C=C3)F)Br |
Product Overview
2-bromo-N-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide (CAS 694501-22-9), with molecular formula C17H11BrFN3O2S2 and molecular weight 450.95 g/mol. IUPAC: 2-bromo-N-[5-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide.
Chemical Property Profile of 2-bromo-N-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Property Insights of 2-bromo-N-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
The XLogP value of 4.667 indicates that 2-bromo-N-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-bromo-N-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide. Following Lipinski's Rule of Five, 2-bromo-N-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide has 1 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-bromo-N-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide?
The CAS number of 2-bromo-N-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide is 694501-22-9.
What is the molecular formula of 2-bromo-N-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide?
The molecular formula of 2-bromo-N-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide is C17H11BrFN3O2S2.
What is the molecular weight of 2-bromo-N-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide?
The molecular weight of 2-bromo-N-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide is 450.95 g/mol.
Where can I buy 2-bromo-N-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide?
You can request a quote for 2-bromo-N-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-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-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-bromo-N-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.