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CAS 936368-68-2 tert-butyl 4-(4-chloropyridin-2-yl)piperazine-1-carboxylate molecular structure lightbox
CAS RN: 936368-68-2

tert-butyl 4-(4-chloropyridin-2-yl)piperazine-1-carboxylate

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3 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260223 100mg Out of stock Inquiry
Batchno.20250820 250mg Out of stock Inquiry
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Batchno.20250316 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS936368-68-2
  • Purity/Analytical Methods: >99.0%
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936368-68-2 / tert-butyl 4-(4-chloro-2-pyridinyl)piperazine-1-carboxylate

Standard CAS: 936368-68-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
936368-68-2
Multi CAS
No
Molecular Formula
C14H20CLN3O2
Molecular Weight
297.780000
Exact Mass
297.124405
InChI
InChI=1S/C14H20ClN3O2/c1-14(2,3)20-13(19)18-8-6-17(7-9-18)12-10-11(15)4-5-16-12/h4-5,10H,6-9H2,1-3H3
InChIKey
PROPFBXURCWWDT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
79.27
TPSA
45.67

LogP / Solubility

WLOGP
2.79
MLOGP
2.47
XLogP3
2.6
Consensus LogP
2.62
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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