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CAS 259683-28-8 6-MORPHOLINONICOTINONITRILE molecular structure lightbox
CAS RN: 259683-28-8

6-MORPHOLINONICOTINONITRILE

  • Product code: SSC-122706
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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: ＞97%
  • 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 259683-28-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

259683-28-8 / 6-morpholin-4-ylpyridine-3-carbonitrile

Standard CAS: 259683-28-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
259683-28-8
Multi CAS
No
Molecular Formula
C10H11N3O
Molecular Weight
189.210000
Exact Mass
189.090212
SMILES
C1COCCN1C2=NC=C(C=C2)C#N
InChI
InChI=1S/C10H11N3O/c11-7-9-1-2-10(12-8-9)13-3-5-14-6-4-13/h1-2,8H,3-6H2
InChIKey
MWMUIALBOFAVDT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
51.98
TPSA
49.15

LogP / Solubility

WLOGP
0.79
MLOGP
0.69
XLogP3
0.7
Consensus LogP
0.73
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
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)
-3.31

Drug-likeness / Medicinal Chemistry

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

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