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CAS 52023-93-5 Pyridine, 5-isothiocyanato-2-methoxy- molecular structure lightbox
CAS RN: 52023-93-5

Pyridine, 5-isothiocyanato-2-methoxy-

  • Product code: SSC-159086
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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 52023-93-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

52023-93-5 / 5-isothiocyanato-2-methoxypyridine

Standard CAS: 52023-93-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
52023-93-5
Multi CAS
No
Molecular Formula
C7H6N2OS
Molecular Weight
166.200000
Exact Mass
166.020084
InChI
InChI=1S/C7H6N2OS/c1-10-7-3-2-6(4-8-7)9-5-11/h2-4H,1H3
InChIKey
PQZYHGMASSLVAI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
45.48
TPSA
34.48

LogP / Solubility

WLOGP
1.82
MLOGP
1.6
XLogP3
2.6
Consensus LogP
2.01
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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)
-2.44

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
1.5

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