CAS RN: 1932492-10-8
(2R,4R)-Tert-Butyl 4-Hydroxy-2-Propionylpyrrolidine-1-Carboxylate(WXC00962)
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.20251206 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1932492-10-8
- Purity/Analytical Methods: >99.0%
1932492-10-8 / tert-butyl (2R,4R)-4-hydroxy-2-propanoylpyrrolidine-1-carboxylate
Basic Information
CAS
1932492-10-8
Multi CAS
No
Molecular Formula
C12H21NO4
Molecular Weight
243.300000
Exact Mass
243.147058
SMILES
CCC(=O)[C@H]1C[C@H](CN1C(=O)OC(C)(C)C)O
InChI
InChI=1S/C12H21NO4/c1-5-10(15)9-6-8(14)7-13(9)11(16)17-12(2,3)4/h8-9,14H,5-7H2,1-4H3/t8-,9-/m1/s1
InChIKey
NVUGNNQATMLQPB-RKDXNWHRSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.65
TPSA
66.84
LogP / Solubility
WLOGP
1.34
MLOGP
1.18
XLogP3
0.9
Consensus LogP
1.14
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
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)
-3.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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