CAS RN: 252574-02-0
Tert-Butyl Trans-3-BroMo-4-Hydroxypyrrolidine-1-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.20250527 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-121054
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 8
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | -- | 5 In Stock | Beijing | Inquiry |
| 0.1g | >95% | 5 In Stock | Beijing | Inquiry |
| 0.25g | -- | 5 In Stock | Beijing | Inquiry |
| 0.25g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 1g | -- | 5 In Stock | Beijing | Inquiry |
| 1g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 5g | -- | 5 In Stock | Beijing | Inquiry |
| 5g | >95% | 5 In Stock | Beijing | Inquiry |
252574-02-0 / tert-butyl (3S,4S)-3-bromo-4-hydroxypyrrolidine-1-carboxylate
Basic Information
CAS
252574-02-0
Multi CAS
No
Molecular Formula
C9H16BrNO3
Molecular Weight
266.130000
Exact Mass
265.031360
SMILES
CC(C)(C)OC(=O)N1C[C@@H]([C@H](C1)Br)O
InChI
InChI=1S/C9H16BrNO3/c1-9(2,3)14-8(13)11-4-6(10)7(12)5-11/h6-7,12H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKey
JVRIILICSFSOJD-RNFRBKRXSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.53
TPSA
49.77
LogP / Solubility
WLOGP
1.36
MLOGP
1.21
XLogP3
1.1
Consensus LogP
1.22
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.38
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
2.5
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- Purity/Analytical method: >99.0%
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![CAS 252578-18-0 (5′-Methyl-3,4,5,6-tetrahydro-2H-[1,2′]bipyridinyl-4-yl)-carbaMic acid tert-butyl ester, 98+% C16H25N3O2, MW: 291.39 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/252578-18-0.gif)
