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CAS 885277-30-5 1-(4-CHLORO-PYRIDIN-2-YL)-PIPERAZINE molecular structure lightbox
CAS RN: 885277-30-5

1-(4-CHLORO-PYRIDIN-2-YL)-PIPERAZINE

  • Product code: SSC-199381
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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 885277-30-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

885277-30-5 / 1-(4-chloro-2-pyridinyl)piperazine

Standard CAS: 885277-30-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
885277-30-5
Multi CAS
No
Molecular Formula
C9H12CLN3
Molecular Weight
197.660000
Exact Mass
197.071975
InChI
InChI=1S/C9H12ClN3/c10-8-1-2-12-9(7-8)13-5-3-11-4-6-13/h1-2,7,11H,3-6H2
InChIKey
VADWBUKUVBYPDJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.33
TPSA
28.16

LogP / Solubility

WLOGP
1.14
MLOGP
1.01
XLogP3
1.3
Consensus LogP
1.15
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.01
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)
-3.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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