![CAS 1214741-21-5 3-(1,1-diMethylethyl)-7a-ethenyltetrahydro-1-hydroxy-(3R,7aR)-3H,5H-Pyrrolo[1,2-c]oxazol-5-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1214741-21-5.gif)
CAS RN: 1214741-21-5
3-(1,1-diMethylethyl)-7a-ethenyltetrahydro-1-hydroxy-(3R,7aR)-3H,5H-Pyrrolo[1,2-c]oxazol-5-one
Product Availability
Choose a grade to view its available package options.
5 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250203 | 100mg | Out of stock | Inquiry | ||
| Batchno.20251112 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20260404 | 1g | Out of stock | Inquiry | ||
| Batchno.20260113 | 250mg | In stock | Tianjin | Inquiry | |
| Batchno.20260218 | 5g | Out of stock | Inquiry |
- Product code: SSC-023936
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 | Shenzhen | Inquiry |
1214741-21-5 / (3R,7aR)-3-tert-butyl-7a-ethenyl-1-hydroxy-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
Basic Information
CAS
1214741-21-5
Multi CAS
No
Molecular Formula
C12H19NO3
Molecular Weight
225.280000
Exact Mass
225.136493
SMILES
CC(C)(C)[C@@H]1N2C(=O)CC[C@]2(C(O1)O)C=C
InChI
InChI=1S/C12H19NO3/c1-5-12-7-6-8(14)13(12)9(11(2,3)4)16-10(12)15/h5,9-10,15H,1,6-7H2,2-4H3/t9-,10?,12+/m1/s1
InChIKey
DAGVYBNUTMALEB-MAZPRZIYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.34
TPSA
49.77
LogP / Solubility
WLOGP
1.25
MLOGP
1.11
XLogP3
1.3
Consensus LogP
1.22
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
Class (SILICOS-IT)
Moderately 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)
-3.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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