CAS RN: 502482-37-3

(S)-2-TERT-BUTYL-PIPERAZINE

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260627 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS502482-37-3
  • Purity/Analytical Methods: >99.0%
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502482-37-3 / 2-tert-butylpiperazine

Standard CAS: 502482-37-3 Multi CAS: Yes

Basic Information

CAS
502482-37-3
Multi CAS
Yes
Molecular Formula
C8H18N2
Molecular Weight
142.240000
Exact Mass
142.146999
InChI
InChI=1S/C8H18N2/c1-8(2,3)7-6-9-4-5-10-7/h7,9-10H,4-6H2,1-3H3/t7-/m1/s1
InChIKey
ZXJUSCSGOOZJMN-SSDOTTSWSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
44.12
TPSA
24.06

LogP / Solubility

WLOGP
0.59
MLOGP
0.52
XLogP3
0.9
Consensus LogP
0.67
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.08
Class (SILICOS-IT)
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)
-3.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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