6-bromo-3-(5-((2-fluorophenyl)amino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one
TL;DR: 6-bromo-3-(5-((2-fluorophenyl)amino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one (CAS 326913-86-4) is a chemical compound with molecular formula C17H9BrFN3O2S and molecular weight 416.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-3-[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]chromen-2-one
Also Known As: BAS 01289966, AB00667610-01, F0368-0143, 6-bromo-3-(5-((2-fluorophenyl)amino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one, 6-bromo-3-[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]chromen-2-one
| Molecular Formula | C17H9BrFN3O2S |
|---|---|
| Molecular Weight | 416.96 g/mol |
| LogP | 4.9567 |
| Topological Polar Surface Area | 68.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 416.95828 |
| Heavy Atoms | 25 |
| Complexity | 1142.1534 |
Chemical Identifiers
| CAS Number | 326913-86-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC2=NN=C(S2)C3=CC4=C(C=CC(=C4)Br)OC3=O)F |
Product Overview
6-bromo-3-(5-((2-fluorophenyl)amino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one (CAS 326913-86-4), with molecular formula C17H9BrFN3O2S and molecular weight 416.96 g/mol. IUPAC: 6-bromo-3-[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]chromen-2-one.
Chemical Property Profile of 6-bromo-3-(5-((2-fluorophenyl)amino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one
Property Insights of 6-bromo-3-(5-((2-fluorophenyl)amino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one
The XLogP value of 4.9567 indicates that 6-bromo-3-(5-((2-fluorophenyl)amino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-bromo-3-(5-((2-fluorophenyl)amino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one. Following Lipinski's Rule of Five, 6-bromo-3-(5-((2-fluorophenyl)amino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one 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 6-bromo-3-(5-((2-fluorophenyl)amino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one?
The CAS number of 6-bromo-3-(5-((2-fluorophenyl)amino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one is 326913-86-4.
What is the molecular formula of 6-bromo-3-(5-((2-fluorophenyl)amino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one?
The molecular formula of 6-bromo-3-(5-((2-fluorophenyl)amino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one is C17H9BrFN3O2S.
What is the molecular weight of 6-bromo-3-(5-((2-fluorophenyl)amino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one?
The molecular weight of 6-bromo-3-(5-((2-fluorophenyl)amino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one is 416.96 g/mol.
Where can I buy 6-bromo-3-(5-((2-fluorophenyl)amino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one?
You can request a quote for 6-bromo-3-(5-((2-fluorophenyl)amino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-bromo-3-(5-((2-fluorophenyl)amino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-bromo-3-(5-((2-fluorophenyl)amino)-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.