![CAS 2126903-00-0 8H-Indeno[1,2-d]oxazole, 3a,8a-dihydro-2-[4-(trifluoromethyl)-2-pyridinyl]-, (3aR,8aS)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2126903-00-0.png)
CAS RN: 2126903-00-0
8H-Indeno[1,2-d]oxazole, 3a,8a-dihydro-2-[4-(trifluoromethyl)-2-pyridinyl]-, (3aR,8aS)-
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250824 | 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2126903-00-0
- Purity/Analytical Methods: >99.0%
2126903-00-0 / (3aS,8bR)-2-[4-(trifluoromethyl)-2-pyridinyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
Basic Information
CAS
2126903-00-0
Multi CAS
No
Molecular Formula
C16H11F3N2O
Molecular Weight
304.270000
Exact Mass
304.082347
SMILES
C1[C@H]2[C@@H](C3=CC=CC=C31)N=C(O2)C4=NC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C16H11F3N2O/c17-16(18,19)10-5-6-20-12(8-10)15-21-14-11-4-2-1-3-9(11)7-13(14)22-15/h1-6,8,13-14H,7H2/t13-,14+/m0/s1
InChIKey
UPCGBBBEHMGVTE-UONOGXRCSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
73.54
TPSA
34.48
LogP / Solubility
WLOGP
3.54
MLOGP
3.13
XLogP3
3.4
Consensus LogP
3.36
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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