6-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2H-chromen-2-one
TL;DR: 6-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2H-chromen-2-one (CAS 98986-40-4) is a chemical compound with molecular formula C17H9ClN2O3 and molecular weight 324.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)chromen-2-one
Also Known As: BAS 01019998, 6-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2H-chromen-2-one, AE-848/11243610, 6-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)chromen-2-one, 6-chloro-3-(5-phenyl(1,3,4-oxadiazol-2-yl))chromen-2-one
| Molecular Formula | C17H9ClN2O3 |
|---|---|
| Molecular Weight | 324.03 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 65.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.03018 |
| Heavy Atoms | 23 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 98986-40-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C(O2)C3=CC4=C(C=CC(=C4)Cl)OC3=O |
| InChIKey | QCZKOIYGBDFYPI-UHFFFAOYSA-N |
Product Overview
6-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2H-chromen-2-one (CAS 98986-40-4), with molecular formula C17H9ClN2O3 and molecular weight 324.03 g/mol. IUPAC: 6-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)chromen-2-one.
Chemical Property Profile of 6-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2H-chromen-2-one
Property Insights of 6-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2H-chromen-2-one
The XLogP value of 3.7 indicates that 6-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2H-chromen-2-one. Following Lipinski's Rule of Five, 6-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2H-chromen-2-one has 0 hydrogen bond donor(s) and 5 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-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2H-chromen-2-one?
The CAS number of 6-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2H-chromen-2-one is 98986-40-4.
What is the molecular formula of 6-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2H-chromen-2-one?
The molecular formula of 6-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2H-chromen-2-one is C17H9ClN2O3.
What is the molecular weight of 6-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2H-chromen-2-one?
The molecular weight of 6-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2H-chromen-2-one is 324.03 g/mol.
Where can I buy 6-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2H-chromen-2-one?
You can request a quote for 6-chloro-3-(5-phenyl-1,3,4-oxadiazol-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-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.