CAS RN: 1010446-31-7
(S)-tert-butyl 3-(piperazin-1-yl) pyrrolidine-1-carboxylate
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.20250714 | 25mg / 100mg / 500mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1010446-31-7
- Purity/Analytical Methods: >99.0%
1010446-31-7 / tert-butyl (3S)-3-piperazin-1-ylpyrrolidine-1-carboxylate
tert-butyl 3-(piperazin-1-yl)pyrrolidine-1-carboxylate | RefChem:893141 | 838-122-9
Basic Information
CAS
1010446-31-7
Multi CAS
Yes
Molecular Formula
C13H25N3O2
Molecular Weight
255.360000
Exact Mass
255.194677
SMILES
CC(C)(C)OC(=O)N1CC[C@@H](C1)N2CCNCC2
InChI
InChI=1S/C13H25N3O2/c1-13(2,3)18-12(17)16-7-4-11(10-16)15-8-5-14-6-9-15/h11,14H,4-10H2,1-3H3/t11-/m0/s1
InChIKey
HCNFKJFDUHUDTA-NSHDSACASA-N
Synonyms
tert-butyl 3-(piperazin-1-yl)pyrrolidine-1-carboxylate
RefChem:893141
838-122-9
MFCD12407008
tert-butyl 3-piperazin-1-ylpyrrolidine-1-carboxylate
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
70.65
TPSA
44.81
LogP / Solubility
WLOGP
0.9
MLOGP
0.8
XLogP3
0.7
Consensus LogP
0.8
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
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)
-3.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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