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CAS 943758-04-1 1-Isopropyl-4-(6-nitropyridin-3-yl)piperazine molecular structure lightbox
CAS RN: 943758-04-1

1-Isopropyl-4-(6-nitropyridin-3-yl)piperazine

  • Product code: SSC-209117
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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 943758-04-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

943758-04-1 / 1-(6-nitro-3-pyridinyl)-4-propan-2-ylpiperazine

Standard CAS: 943758-04-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
943758-04-1
Multi CAS
No
Molecular Formula
C12H18N4O2
Molecular Weight
250.300000
Exact Mass
250.142976
InChI
InChI=1S/C12H18N4O2/c1-10(2)14-5-7-15(8-6-14)11-3-4-12(13-9-11)16(17)18/h3-4,9-10H,5-8H2,1-2H3
InChIKey
DYEVTGKLDGTXHC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
69.81
TPSA
62.51

LogP / Solubility

WLOGP
1.52
MLOGP
1.34
XLogP3
1.7
Consensus LogP
1.52
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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)
-3.17

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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