CAS RN: 69062-86-8
2,4-Dimethyloxazole-5-carboxaldehyde
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.20251020 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: LIND926446
69062-86-8 / 2,4-dimethyl-1,3-oxazole-5-carbaldehyde
Basic Information
CAS
69062-86-8
Multi CAS
No
Molecular Formula
C6H7NO2
Molecular Weight
125.130000
Exact Mass
125.047678
InChI
InChI=1S/C6H7NO2/c1-4-6(3-8)9-5(2)7-4/h3H,1-2H3
InChIKey
OPTYBWVHZBYRGJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
31.36
TPSA
43.1
LogP / Solubility
WLOGP
1.1
MLOGP
0.96
XLogP3
0.9
Consensus LogP
0.99
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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