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CAS 54289-73-5 4-(4-broMophenyl)oxazole molecular structure lightbox
CAS RN: 54289-73-5

4-(4-broMophenyl)oxazole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260401 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS54289-73-5
  • Purity/Analytical Methods: >99.0%
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54289-73-5 / 4-(4-bromophenyl)-1,3-oxazole

Standard CAS: 54289-73-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54289-73-5
Multi CAS
No
Molecular Formula
BC9H6ORn
Molecular Weight
224.050000
Exact Mass
222.963280
InChI
InChI=1S/C9H6BrNO/c10-8-3-1-7(2-4-8)9-5-12-6-11-9/h1-6H
InChIKey
JUZBHACCQAUBSC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
49.64
TPSA
26.03

LogP / Solubility

WLOGP
3.1
MLOGP
2.73
XLogP3
2.7
Consensus LogP
2.84
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly 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)
-1.88

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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