CAS RN: 2634687-87-7
Oxazole, 2,2′-cyclopropylidenebis[4-(1,1-dimethylethyl)-4,5-dihydro-, (4R,4’R)-
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.20250627 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2634687-87-7
- Purity/Analytical Methods: >99.0%
2634687-87-7 / 4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)cyclopropyl]-4,5-dihydro-1,3-oxazole
Basic Information
CAS
2634687-87-7
Multi CAS
No
Molecular Formula
C17H28N2O2
Molecular Weight
292.400000
Exact Mass
292.215078
SMILES
CC(C)(C)C1COC(=N1)C2(CC2)C3=NC(CO3)C(C)(C)C
InChI
InChI=1S/C17H28N2O2/c1-15(2,3)11-9-20-13(18-11)17(7-8-17)14-19-12(10-21-14)16(4,5)6/h11-12H,7-10H2,1-6H3
InChIKey
LUKXYKUSOPDGKX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
84.93
TPSA
43.18
LogP / Solubility
WLOGP
3.45
MLOGP
3.05
XLogP3
3.4
Consensus LogP
3.3
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.67
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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