CAS RN: 898784-28-6
2-(3,5-DICHLOROBENZOYL)OXAZOLE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260628 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS898784-28-6
- Purity/Analytical Methods: >99.0%
898784-28-6 / (3,5-dichlorophenyl)-(1,3-oxazol-2-yl)methanone
Basic Information
CAS
898784-28-6
Multi CAS
No
Molecular Formula
C10H5CL2NO2
Molecular Weight
242.050000
Exact Mass
240.969734
InChI
InChI=1S/C10H5Cl2NO2/c11-7-3-6(4-8(12)5-7)9(14)10-13-1-2-15-10/h1-5H
InChIKey
FALFWGLRGMSTDS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
56.4
TPSA
43.1
LogP / Solubility
WLOGP
3.21
MLOGP
2.83
XLogP3
3.3
Consensus LogP
3.11
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.14
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
