CAS RN: 536747-87-2
(R)-1-Boc-4,4-difluoropyrrolidine-2-carboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250725 | 100mg / 250mg / 1g / 5g / 10g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-161044
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: 1g, 0.25g, 5g, 10g, 0.1g
- 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 |
|---|---|---|---|---|
| 1g | >95% | 3 In Stock | Beijing | Inquiry |
| 0.25g | -- | 1 In Stock | Beijing | Inquiry |
| 0.25g | >95% | 1 In Stock | Shanghai | Inquiry |
| 1g | -- | 1 In Stock | Shanghai | Inquiry |
| 5g | -- | 1 In Stock | Shanghai | Inquiry |
| 5g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 10g | -- | 1 In Stock | Beijing | Inquiry |
| 10g | >95% | 1 In Stock | Shanghai | Inquiry |
| 0.1g | -- | 0 Out of Stock | Beijing | Inquiry |
| 0.1g | >95% | 0 Out of Stock | Beijing | Inquiry |
536747-87-2 / (2R)-4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Basic Information
CAS
536747-87-2
Multi CAS
Yes
Molecular Formula
C10F2H15NO4
Molecular Weight
251.230000
Exact Mass
251.096914
InChI
InChI=1S/C10H15F2NO4/c1-9(2,3)17-8(16)13-5-10(11,12)4-6(13)7(14)15/h6H,4-5H2,1-3H3,(H,14,15)/t6-/m1/s1
InChIKey
WTMZYKCXBXPVPT-ZCFIWIBFSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.93
TPSA
66.84
LogP / Solubility
WLOGP
1.72
MLOGP
1.52
XLogP3
1.5
Consensus LogP
1.58
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
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)
-3.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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