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CAS 717927-58-7 (R)-tert-butyl 3-(piperazin-1-yl) pyrrolidine-1-carboxylate molecular structure lightbox
CAS RN: 717927-58-7

(R)-tert-butyl 3-(piperazin-1-yl) pyrrolidine-1-carboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250108 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS717927-58-7
  • Purity/Analytical Methods: >99.0%
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717927-58-7 / tert-butyl 3-piperazin-1-ylpyrrolidine-1-carboxylate

Standard CAS: 717927-58-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
717927-58-7
Multi CAS
Yes
Molecular Formula
C13H25N3O2
Molecular Weight
255.360000
Exact Mass
255.194677
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-/m1/s1
InChIKey
HCNFKJFDUHUDTA-LLVKDONJSA-N

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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