CAS RN: 146256-99-7
4-Hydroxy-1,3-pyrrolidinedicarboxylic acid 1-(1,1-dimethylethyl) 3-ethyl ester
- Product code: SSC-057353
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, 0.25g, 25g, 5g, 10g
- Available purity: >95%
- Inventory rows with stock: 6
- 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% | 5 In Stock | Hong Kong | Inquiry |
| 0.1g | >95% | 4 In Stock | Hong Kong | Inquiry |
| 0.25g | >95% | 4 In Stock | Hong Kong | Inquiry |
| 25g | >95% | 4 In Stock | Hong Kong | Inquiry |
| 5g | >95% | 3 In Stock | Beijing | Inquiry |
| 10g | >95% | 3 In Stock | Shanghai | Inquiry |
146256-99-7 / 1-O-tert-butyl 3-O-ethyl 4-hydroxypyrrolidine-1,3-dicarboxylate
Basic Information
CAS
146256-99-7
Multi CAS
No
Molecular Formula
C12H21NO5
Molecular Weight
259.300000
Exact Mass
259.141973
SMILES
CCOC(=O)C1CN(CC1O)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H21NO5/c1-5-17-10(15)8-6-13(7-9(8)14)11(16)18-12(2,3)4/h8-9,14H,5-7H2,1-4H3
InChIKey
JHBUFXKTKCCCKA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
63.94
TPSA
76.07
LogP / Solubility
WLOGP
0.78
MLOGP
0.69
XLogP3
1
Consensus LogP
0.82
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
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)
-3.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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