![CAS 142573-55-5 tert-butyl (4R)-4-[(E)-3-bromoprop-1-enyl]-2,2-dimethyl-oxazolidine-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/142573-55-5.gif)
CAS RN: 142573-55-5
tert-butyl (4R)-4-[(E)-3-bromoprop-1-enyl]-2,2-dimethyl-oxazolidine-3-carboxylate
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.20260618 | 100mg / 250mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-053352
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 |
142573-55-5 / tert-butyl (4R)-4-[(E)-3-bromoprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
Basic Information
CAS
142573-55-5
Multi CAS
No
Molecular Formula
C13H22BrNO3
Molecular Weight
320.220000
Exact Mass
319.078310
SMILES
CC1(N([C@@H](CO1)/C=C/CBr)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C13H22BrNO3/c1-12(2,3)18-11(16)15-10(7-6-8-14)9-17-13(15,4)5/h6-7,10H,8-9H2,1-5H3/b7-6+/t10-/m1/s1
InChIKey
LRQFEHKKEOQOPY-VQCYPWCPSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.77
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
74.83
TPSA
38.77
LogP / Solubility
WLOGP
3.31
MLOGP
2.93
XLogP3
2.6
Consensus LogP
2.95
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.73
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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