CAS RN: 168049-26-1
(S)-2-(AzidoMethyl)-1-Boc-pyrrolidine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250215 | 100mg / 500mg / 1g | Confirm by inquiry | Shanghai, Chongqing | Inquiry |
- Product code: starshine_CAS168049-26-1
- Purity/Analytical Methods: >99.0%
168049-26-1 / tert-butyl (2S)-2-(azidomethyl)pyrrolidine-1-carboxylate
Basic Information
CAS
168049-26-1
Multi CAS
No
Molecular Formula
C10H18N4O2
Molecular Weight
226.280000
Exact Mass
226.142976
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1CN=[N+]=[N-]
InChI
InChI=1S/C10H18N4O2/c1-10(2,3)16-9(15)14-6-4-5-8(14)7-12-13-11/h8H,4-7H2,1-3H3/t8-/m0/s1
InChIKey
HRLUZSSGBKDEGK-QMMMGPOBSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
59.98
TPSA
78.3
LogP / Solubility
WLOGP
2.7
MLOGP
2.38
XLogP3
2.6
Consensus LogP
2.56
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
Class (SILICOS-IT)
Poorly 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)
-2.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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