CAS RN: 832099-59-9
4-(4-chlorophenyl)oxazole
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.20260101 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS832099-59-9
- Purity/Analytical Methods: >99.0%
832099-59-9 / 4-(4-chlorophenyl)-1,3-oxazole
Basic Information
CAS
832099-59-9
Multi CAS
No
Molecular Formula
C9H6CLNO
Molecular Weight
179.600000
Exact Mass
179.013792
InChI
InChI=1S/C9H6ClNO/c10-8-3-1-7(2-4-8)9-5-12-6-11-9/h1-6H
InChIKey
BVKCIMXCVGFZEN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
46.95
TPSA
26.03
LogP / Solubility
WLOGP
3
MLOGP
2.63
XLogP3
2.6
Consensus LogP
2.74
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly 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)
-1.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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