![CAS 2757082-99-6 8H-Indeno[1,2-d]oxazole, 3a,8a-dihydro-2-(6-methyl-2-pyridinyl)-, (3aR,8aS)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2757082-99-6.gif)
CAS RN: 2757082-99-6
8H-Indeno[1,2-d]oxazole, 3a,8a-dihydro-2-(6-methyl-2-pyridinyl)-, (3aR,8aS)-
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.20250615 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-127242
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
2757082-99-6 / 2-(6-methyl-2-pyridinyl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
Basic Information
CAS
2757082-99-6
Multi CAS
No
Molecular Formula
C16H14N2O
Molecular Weight
250.290000
Exact Mass
250.110613
SMILES
CC1=NC(=CC=C1)C2=NC3C(O2)CC4=CC=CC=C34
InChI
InChI=1S/C16H14N2O/c1-10-5-4-8-13(17-10)16-18-15-12-7-3-2-6-11(12)9-14(15)19-16/h2-8,14-15H,9H2,1H3
InChIKey
SGJXJZCXVZDEEU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
73.27
TPSA
34.48
LogP / Solubility
WLOGP
2.83
MLOGP
2.5
XLogP3
2.9
Consensus LogP
2.74
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
Class (SILICOS-IT)
Poorly 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)
-2.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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