![CAS 217653-18-4 Pyridine, 2-[[(4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]methyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/217653-18-4.gif)
CAS RN: 217653-18-4
Pyridine, 2-[[(4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]methyl]-
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.20251028 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-105058
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
217653-18-4 / (4S)-4-propan-2-yl-2-(pyridin-2-ylmethyl)-4,5-dihydro-1,3-oxazole
Basic Information
CAS
217653-18-4
Multi CAS
No
Molecular Formula
C12H16N2O
Molecular Weight
204.270000
Exact Mass
204.126263
SMILES
CC(C)[C@H]1COC(=N1)CC2=CC=CC=N2
InChI
InChI=1S/C12H16N2O/c1-9(2)11-8-15-12(14-11)7-10-5-3-4-6-13-10/h3-6,9,11H,7-8H2,1-2H3/t11-/m1/s1
InChIKey
VXTSYGYSDWKLDH-LLVKDONJSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
59.95
TPSA
34.48
LogP / Solubility
WLOGP
2.08
MLOGP
1.83
XLogP3
1.7
Consensus LogP
1.87
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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