![CAS 2634687-67-3 (3aS,8aR)-2-(Pyrimidin-2-yl)-8,8a-dihydro-3aH-indeno[1,2-d]oxazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2634687-67-3.gif)
CAS RN: 2634687-67-3
(3aS,8aR)-2-(Pyrimidin-2-yl)-8,8a-dihydro-3aH-indeno[1,2-d]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.20251031 | 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2634687-67-3
- Purity/Analytical Methods: >99.0%
2634687-67-3 / 2-pyrimidin-2-yl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
Basic Information
CAS
2634687-67-3
Multi CAS
No
Molecular Formula
C14H11N3O
Molecular Weight
237.260000
Exact Mass
237.090212
SMILES
C1C2C(C3=CC=CC=C31)N=C(O2)C4=NC=CC=N4
InChI
InChI=1S/C14H11N3O/c1-2-5-10-9(4-1)8-11-12(10)17-14(18-11)13-15-6-3-7-16-13/h1-7,11-12H,8H2
InChIKey
NCBUCRJRQQJEEL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
66.33
TPSA
47.37
LogP / Solubility
WLOGP
1.92
MLOGP
1.69
XLogP3
1.9
Consensus LogP
1.84
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
Class (SILICOS-IT)
Moderately 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)
-2.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 2634687-71-9 Pyrimidine, 2-[(4S)-4,5-dihydro-4-phenyl-2-oxazolyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2634687-71-9.gif)
