![CAS 2126902-95-0 8H-Indeno[1,2-d]oxazole, 3a,8a-dihydro-2-(1-isoquinolinyl)-, (3aR,8aS)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2126902-95-0.png)
CAS RN: 2126902-95-0
8H-Indeno[1,2-d]oxazole, 3a,8a-dihydro-2-(1-isoquinolinyl)-, (3aR,8aS)-
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250331 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250802 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250321 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260307 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
- Product code: starshine_CAS2126902-95-0
- Purity/Analytical Methods: >99.0%
2126902-95-0 / (3aS,8bR)-2-isoquinolin-1-yl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
Basic Information
CAS
2126902-95-0
Multi CAS
No
Molecular Formula
C19H14N2O
Molecular Weight
286.300000
Exact Mass
286.110613
SMILES
C1[C@H]2[C@@H](C3=CC=CC=C31)N=C(O2)C4=NC=CC5=CC=CC=C54
InChI
InChI=1S/C19H14N2O/c1-3-7-14-12(5-1)9-10-20-18(14)19-21-17-15-8-4-2-6-13(15)11-16(17)22-19/h1-10,16-17H,11H2/t16-,17+/m0/s1
InChIKey
NCKOPXFDULSZAA-DLBZAZTESA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.16
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
86.04
TPSA
34.48
LogP / Solubility
WLOGP
3.68
MLOGP
3.25
XLogP3
3.8
Consensus LogP
3.58
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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