CAS RN: 1194376-31-2
tert-butyl 3-cyano-3-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.20250103 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-019989
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, 1g, 0.25g, 5g, 10g
- Available purity: ＞97%
- Inventory rows with stock: 2
- 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 | ＞97% | 1 In Stock | Shanghai | Inquiry |
| 1g | ＞97% | 1 In Stock | Beijing | Inquiry |
| 0.25g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
| 5g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
| 10g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
1194376-31-2 / tert-butyl 3-cyano-3-hydroxypyrrolidine-1-carboxylate
TERT-BUTYL 3-CYANO-3-HYDROXYPYRROLIDINE-1-CARBOXYLATE | 1-Boc-3-cyano-3-hydroxypyrrolidine | MFCD11878020
Basic Information
CAS
1194376-31-2
Multi CAS
No
Molecular Formula
C10H16N2O3
Molecular Weight
212.250000
Exact Mass
212.116092
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(C#N)O
InChI
InChI=1S/C10H16N2O3/c1-9(2,3)15-8(13)12-5-4-10(14,6-11)7-12/h14H,4-5,7H2,1-3H3
InChIKey
BNJQQWIFMXEJPB-UHFFFAOYSA-N
Synonyms
TERT-BUTYL 3-CYANO-3-HYDROXYPYRROLIDINE-1-CARBOXYLATE
1-Boc-3-cyano-3-hydroxypyrrolidine
MFCD11878020
1-Pyrrolidinecarboxylic acid, 3-cyano-3-hydroxy-, 1,1-dimethylethyl ester
TERT-BUTYL3-CYANO-3-HYDROXYPYRROLIDINE-1-CARBOXYLATE
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.99
TPSA
73.56
LogP / Solubility
WLOGP
0.88
MLOGP
0.78
XLogP3
0.2
Consensus LogP
0.62
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
Class (SILICOS-IT)
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)
-3.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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