CAS RN: 874831-51-3
5-(4-bromophenyl)-4-methylisoxazole
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.20260419 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS874831-51-3
- Purity/Analytical Methods: >99.0%
874831-51-3 / 5-(4-bromophenyl)-4-methyl-1,2-oxazole
Basic Information
CAS
874831-51-3
Multi CAS
No
Molecular Formula
BC10H8ORn
Molecular Weight
238.080000
Exact Mass
236.978930
InChI
InChI=1S/C10H8BrNO/c1-7-6-12-13-10(7)8-2-4-9(11)5-3-8/h2-6H,1H3
InChIKey
JSKTUAQSLWUFLY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
54.38
TPSA
26.03
LogP / Solubility
WLOGP
3.41
MLOGP
3.01
XLogP3
3.1
Consensus LogP
3.17
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.16
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)
-1.75
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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