CAS RN: 2106454-01-5
2-(2,4-dimethylthiazol-5-yl)oxazole-5-carbaldehyde(WXC09126)
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.20250829 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2106454-01-5
- Purity/Analytical Methods: >99.0%
2106454-01-5 / 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carbaldehyde
Basic Information
CAS
2106454-01-5
Multi CAS
No
Molecular Formula
C9H8N2O2S
Molecular Weight
208.240000
Exact Mass
208.030649
SMILES
CC1=C(SC(=N1)C)C2=NC=C(O2)C=O
InChI
InChI=1S/C9H8N2O2S/c1-5-8(14-6(2)11-5)9-10-3-7(4-12)13-9/h3-4H,1-2H3
InChIKey
INRGFDLLIZDJIG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
52.47
TPSA
55.99
LogP / Solubility
WLOGP
2.23
MLOGP
1.96
XLogP3
1.7
Consensus LogP
1.96
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
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)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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