![CAS 873090-18-7 5-(3-BROMO-PHENYL)-3H-[1,3,4]OXADIAZOL-2-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/873090-18-7.gif)
CAS RN: 873090-18-7
5-(3-BROMO-PHENYL)-3H-[1,3,4]OXADIAZOL-2-ONE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250827 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS873090-18-7
- Purity/Analytical Methods: >99.0%
873090-18-7 / 5-(3-bromophenyl)-3H-1,3,4-oxadiazol-2-one
Basic Information
CAS
873090-18-7
Multi CAS
Yes
Molecular Formula
BC8H5O2Rn2
Molecular Weight
241.040000
Exact Mass
239.953440
InChI
InChI=1S/C8H5BrN2O2/c9-6-3-1-2-5(4-6)7-10-11-8(12)13-7/h1-4H,(H,11,12)
InChIKey
ZVWSHDFGLFCEID-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.26
TPSA
58.89
LogP / Solubility
WLOGP
1.79
MLOGP
1.58
XLogP3
2.1
Consensus LogP
1.82
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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