2-((5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-nitrophenyl)propanamide
TL;DR: 2-((5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-nitrophenyl)propanamide (CAS 332114-39-3) is a chemical compound with molecular formula C17H13BrN4O4S and molecular weight 447.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-nitrophenyl)propanamide
Also Known As: BAS 01128206, 2-((5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-nitrophenyl)propanamide, 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-nitrophenyl)propanamide, 2-[5-(2-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(3-nitro-phenyl)-propionamide, 2-[5-(2-bromophenyl)(1,3,4-oxadiazol-2-ylthio)]-N-(3-nitrophenyl)propanamide
| Molecular Formula | C17H13BrN4O4S |
|---|---|
| Molecular Weight | 447.98 g/mol |
| LogP | 4.5266 |
| Topological Polar Surface Area | 111.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.9841 |
| Heavy Atoms | 27 |
| Complexity | 994.3246 |
Chemical Identifiers
| CAS Number | 332114-39-3 |
|---|---|
| SMILES | CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(O2)C3=CC=CC=C3Br |
Product Overview
2-((5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-nitrophenyl)propanamide (CAS 332114-39-3), with molecular formula C17H13BrN4O4S and molecular weight 447.98 g/mol. IUPAC: 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-nitrophenyl)propanamide.
Chemical Property Profile of 2-((5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-nitrophenyl)propanamide
Property Insights of 2-((5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-nitrophenyl)propanamide
The XLogP value of 4.5266 indicates that 2-((5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-nitrophenyl)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-nitrophenyl)propanamide. Following Lipinski's Rule of Five, 2-((5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-nitrophenyl)propanamide 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-((5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-nitrophenyl)propanamide?
The CAS number of 2-((5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-nitrophenyl)propanamide is 332114-39-3.
What is the molecular formula of 2-((5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-nitrophenyl)propanamide?
The molecular formula of 2-((5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-nitrophenyl)propanamide is C17H13BrN4O4S.
What is the molecular weight of 2-((5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-nitrophenyl)propanamide?
The molecular weight of 2-((5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-nitrophenyl)propanamide is 447.98 g/mol.
Where can I buy 2-((5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-nitrophenyl)propanamide?
You can request a quote for 2-((5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-nitrophenyl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-nitrophenyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-nitrophenyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.