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CAS 52024-29-0 6-MORPHOLINO-3-PYRIDINYL ISOTHIOCYANATE molecular structure lightbox
CAS RN: 52024-29-0

6-MORPHOLINO-3-PYRIDINYL ISOTHIOCYANATE

  • Product code: SSC-159088
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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: 0.25g
  • 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 52024-29-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

52024-29-0 / 4-(5-isothiocyanato-2-pyridinyl)morpholine

Standard CAS: 52024-29-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
52024-29-0
Multi CAS
No
Molecular Formula
C10H11N3OS
Molecular Weight
221.280000
Exact Mass
221.062283
InChI
InChI=1S/C10H11N3OS/c15-8-12-9-1-2-10(11-7-9)13-3-5-14-6-4-13/h1-2,7H,3-6H2
InChIKey
VLZWMPRZGPULIU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
61.96
TPSA
37.72

LogP / Solubility

WLOGP
1.65
MLOGP
1.46
XLogP3
2.3
Consensus LogP
1.8
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
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)
-2.9

Drug-likeness / Medicinal Chemistry

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

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