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CAS 52239-23-3 2-nitro-1-(pyridin-4-yl)ethanol molecular structure lightbox
CAS RN: 52239-23-3

2-nitro-1-(pyridin-4-yl)ethanol

  • Product code: SSC-159334
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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 52239-23-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

52239-23-3 / 2-nitro-1-pyridin-4-ylethanol

Standard CAS: 52239-23-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
52239-23-3
Multi CAS
No
Molecular Formula
C7H8N2O3
Molecular Weight
168.150000
Exact Mass
168.053492
InChI
InChI=1S/C7H8N2O3/c10-7(5-9(11)12)6-1-3-8-4-2-6/h1-4,7,10H,5H2
InChIKey
SGMASOGGNOSBGC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
41.06
TPSA
76.26

LogP / Solubility

WLOGP
0.39
MLOGP
0.34
XLogP3
-0.2
Consensus LogP
0.18
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.22
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.44
Class (SILICOS-IT)
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)
-3.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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