4-bromo-N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
TL;DR: 4-bromo-N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide (CAS 392290-87-8) is a chemical compound with molecular formula C17H13BrN4O2S2 and molecular weight 447.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-4-bromobenzamide
Also Known As: F0417-0038, 4-bromo-N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide, 4-bromo-N-(5-{[(phenylcarbamoyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide, N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-4-bromobenzamide, 4-bromo-N-[5-(phenylcarbamoylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
| Molecular Formula | C17H13BrN4O2S2 |
|---|---|
| Molecular Weight | 447.97 g/mol |
| LogP | 4.2837 |
| Topological Polar Surface Area | 83.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.96634 |
| Heavy Atoms | 26 |
| Complexity | 900.64105 |
Chemical Identifiers
| CAS Number | 392290-87-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)Br |
Product Overview
4-bromo-N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide (CAS 392290-87-8), with molecular formula C17H13BrN4O2S2 and molecular weight 447.97 g/mol. IUPAC: N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-4-bromobenzamide.
Chemical Property Profile of 4-bromo-N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
Property Insights of 4-bromo-N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
The XLogP value of 4.2837 indicates that 4-bromo-N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-bromo-N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide. Following Lipinski's Rule of Five, 4-bromo-N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide has 2 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 4-bromo-N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
The CAS number of 4-bromo-N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide is 392290-87-8.
What is the molecular formula of 4-bromo-N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
The molecular formula of 4-bromo-N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide is C17H13BrN4O2S2.
What is the molecular weight of 4-bromo-N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
The molecular weight of 4-bromo-N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide is 447.97 g/mol.
Where can I buy 4-bromo-N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
You can request a quote for 4-bromo-N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-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 4-bromo-N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.