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CAS 219635-89-9 1-(5-IODO-PYRIDIN-2-YL)-PIPERAZINE molecular structure lightbox
CAS RN: 219635-89-9

1-(5-IODO-PYRIDIN-2-YL)-PIPERAZINE

  • Product code: SSC-105636
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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 219635-89-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

219635-89-9 / 1-(5-iodo-2-pyridinyl)piperazine

Standard CAS: 219635-89-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
219635-89-9
Multi CAS
No
Molecular Formula
C9H12IN3
Molecular Weight
289.120000
Exact Mass
289.007590
SMILES
C1CN(CCN1)C2=NC=C(C=C2)I
InChI
InChI=1S/C9H12IN3/c10-8-1-2-9(12-7-8)13-5-3-11-4-6-13/h1-2,7,11H,3-6H2
InChIKey
MKKJIJFTSAYHBW-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
62.04
TPSA
28.16

LogP / Solubility

WLOGP
1.1
MLOGP
0.97
XLogP3
1.3
Consensus LogP
1.12
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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