![CAS 1814890-52-2 Pyrazine, 2-[(4S)-4-(1,1-dimethylethyl)-4,5-dihydro-2-oxazolyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1814890-52-2.gif)
CAS RN: 1814890-52-2
Pyrazine, 2-[(4S)-4-(1,1-dimethylethyl)-4,5-dihydro-2-oxazolyl]-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250614 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1814890-52-2
- Purity/Analytical Methods: >99.0%
1814890-52-2 / (4S)-4-tert-butyl-2-pyrazin-2-yl-4,5-dihydro-1,3-oxazole
Basic Information
CAS
1814890-52-2
Multi CAS
No
Molecular Formula
C11H15N3O
Molecular Weight
205.260000
Exact Mass
205.121512
SMILES
CC(C)(C)[C@H]1COC(=N1)C2=NC=CN=C2
InChI
InChI=1S/C11H15N3O/c1-11(2,3)9-7-15-10(14-9)8-6-12-4-5-13-8/h4-6,9H,7H2,1-3H3/t9-/m1/s1
InChIKey
OPQTURLDWDZYMR-SECBINFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
57.76
TPSA
47.37
LogP / Solubility
WLOGP
1.67
MLOGP
1.47
XLogP3
1.4
Consensus LogP
1.51
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
Class (SILICOS-IT)
Moderately 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)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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