![CAS 944728-08-9 TERT-BUTYL[(5-OXOPYRROLIDIN-2-YL)METHYL]CARBAMATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB01096635.gif)
CAS RN: 944728-08-9
TERT-BUTYL[(5-OXOPYRROLIDIN-2-YL)METHYL]CARBAMATE
- Product code: SSC-209341
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
944728-08-9 / tert-butyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate
Basic Information
CAS
944728-08-9
Multi CAS
No
Molecular Formula
C10H18N2O3
Molecular Weight
214.260000
Exact Mass
214.131742
InChI
InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)11-6-7-4-5-8(13)12-7/h7H,4-6H2,1-3H3,(H,11,14)(H,12,13)
InChIKey
QAZQYXLZGZFSRM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.4
TPSA
67.43
LogP / Solubility
WLOGP
0.79
MLOGP
0.7
XLogP3
0.4
Consensus LogP
0.63
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
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)
-3.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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![CAS 944795-06-6 BenzaMide, 3-[[4-[(5-hydroxy-2-Methylphenyl)aMino]-2-pyriMidinyl]aMino]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/944795-06-6.gif)
