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CAS 1240588-24-2 (R)-tert-butyl 3-tert-butylpiperazine-1-carboxylate hydrochloride molecular structure lightbox
CAS RN: 1240588-24-2

(R)-tert-butyl 3-tert-butylpiperazine-1-carboxylate hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260407 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1240588-24-2
  • Purity/Analytical Methods: >99.0%
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1240588-24-2 / tert-butyl (3R)-3-tert-butylpiperazine-1-carboxylate

Standard CAS: 1240588-24-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1240588-24-2
Multi CAS
No
Molecular Formula
C13H26N2O2
Molecular Weight
242.360000
Exact Mass
242.199428
SMILES
CC(C)(C)[C@@H]1CN(CCN1)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H26N2O2/c1-12(2,3)10-9-15(8-7-14-10)11(16)17-13(4,5)6/h10,14H,7-9H2,1-6H3/t10-/m0/s1
InChIKey
LCTYDUNZQLEACC-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.05
TPSA
41.57

LogP / Solubility

WLOGP
2.24
MLOGP
1.98
XLogP3
2.2
Consensus LogP
2.14
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.1
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)
-2.61

Drug-likeness / Medicinal Chemistry

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

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