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CAS 633283-63-3 1-N-BOC-4-(2-CHLORO-4-PYRIDINYL) PIPERAZINE molecular structure lightbox
CAS RN: 633283-63-3

1-N-BOC-4-(2-CHLORO-4-PYRIDINYL) PIPERAZINE

  • Product code: SSC-172955
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 633283-63-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

633283-63-3 / tert-butyl 4-(2-chloro-4-pyridinyl)piperazine-1-carboxylate

Standard CAS: 633283-63-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
633283-63-3
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)11-4-5-16-12(15)10-11/h4-5,10H,6-9H2,1-3H3
InChIKey
WRLIMUYTLLVFLP-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
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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