![CAS 681128-51-8 (2R,4R)-1-[(tert-butoxy)carbonyl]-4-fluoropyrrolidine-2-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/681128-51-8.gif)
CAS RN: 681128-51-8
(2R,4R)-1-[(tert-butoxy)carbonyl]-4-fluoropyrrolidine-2-carboxylic acid
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.20260119 | 1g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-177825
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, 0.1g, 5g, 0.25g, 10g, 25g
- Available purity: 97%
- Inventory rows with stock: 10
- 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 | -- | 5 In Stock | Shenzhen | Inquiry |
| 1g | 97% | 5 In Stock | Hong Kong | Inquiry |
| 0.1g | -- | 2 In Stock | Shanghai | Inquiry |
| 0.1g | 97% | 2 In Stock | Hong Kong | Inquiry |
| 5g | -- | 2 In Stock | Shenzhen | Inquiry |
| 5g | 97% | 2 In Stock | Shanghai | Inquiry |
| 0.25g | -- | 1 In Stock | Beijing | Inquiry |
| 0.25g | 97% | 1 In Stock | Hong Kong | Inquiry |
| 10g | -- | 1 In Stock | Hong Kong | Inquiry |
| 10g | 97% | 1 In Stock | Shenzhen | Inquiry |
| 25g | -- | 0 Out of Stock | Beijing | Inquiry |
| 25g | 97% | 0 Out of Stock | Hong Kong | Inquiry |
681128-51-8 / (2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Basic Information
CAS
681128-51-8
Multi CAS
Yes
Molecular Formula
C10FH16NO4
Molecular Weight
233.240000
Exact Mass
233.106336
InChI
InChI=1S/C10H16FNO4/c1-10(2,3)16-9(15)12-5-6(11)4-7(12)8(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)/t6-,7-/m0/s1
InChIKey
YGWZXQOYEBWUTH-BQBZGAKWSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.88
TPSA
66.84
LogP / Solubility
WLOGP
1.42
MLOGP
1.25
XLogP3
1.3
Consensus LogP
1.32
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
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)
-3.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
