CAS RN: 1932651-04-1
(3R,5R)-(5-Methyl-pyrrolidin-3-yl)-carbamic acid tert-butyl ester
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.20250201 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1932651-04-1
- Purity/Analytical Methods: >99.0%
1932651-04-1 / tert-butyl N-[(3R,5R)-5-methylpyrrolidin-3-yl]carbamate
Basic Information
CAS
1932651-04-1
Multi CAS
No
Molecular Formula
C10H20N2O2
Molecular Weight
200.280000
Exact Mass
200.152478
SMILES
C[C@@H]1C[C@H](CN1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C10H20N2O2/c1-7-5-8(6-11-7)12-9(13)14-10(2,3)4/h7-8,11H,5-6H2,1-4H3,(H,12,13)/t7-,8-/m1/s1
InChIKey
HBFRNKXGNAOUDC-HTQZYQBOSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.24
TPSA
50.36
LogP / Solubility
WLOGP
1.26
MLOGP
1.11
XLogP3
1.1
Consensus LogP
1.16
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
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)
-3.05
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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![CAS 1932777-22-4 tert-butyl (1R,4R,5S)-5-hydroxy-2-azabicyclo[2.2.2]octane-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1932777-22-4.gif)
