![CAS 2757082-80-5 8H-Indeno[1,2-d]oxazole, 3a,8a-dihydro-2-(2-pyrazinyl)-, (3aS,8aR)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2757082-80-5.gif)
CAS RN: 2757082-80-5
8H-Indeno[1,2-d]oxazole, 3a,8a-dihydro-2-(2-pyrazinyl)-, (3aS,8aR)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260414 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2757082-80-5
- Purity/Analytical Methods: >99.0%
2757082-80-5 / 2-pyrazin-2-yl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
Basic Information
CAS
2757082-80-5
Multi CAS
Yes
Molecular Formula
C14H11N3O
Molecular Weight
237.260000
Exact Mass
237.090212
InChI
InChI=1S/C14H11N3O/c1-2-4-10-9(3-1)7-12-13(10)17-14(18-12)11-8-15-5-6-16-11/h1-6,8,12-13H,7H2
InChIKey
NHUZBFRWVMEXCG-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
1.4
Consensus LogP
1.67
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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