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CAS 39883-32-4 6-Oxo-1,6-dihydro-[2,4]bipyridinyl-5-carbonitrile molecular structure lightbox
CAS RN: 39883-32-4

6-Oxo-1,6-dihydro-[2,4]bipyridinyl-5-carbonitrile

  • Product code: SSC-147651
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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 39883-32-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

39883-32-4 / 2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonitrile

Standard CAS: 39883-32-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
39883-32-4
Multi CAS
Yes
Molecular Formula
C11H7N3O
Molecular Weight
197.190000
Exact Mass
197.058912
InChI
InChI=1S/C11H7N3O/c12-7-9-1-2-10(14-11(9)15)8-3-5-13-6-4-8/h1-6H,(H,14,15)
InChIKey
DQBRKKGTJNHOBR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.01
TPSA
69.54

LogP / Solubility

WLOGP
1.31
MLOGP
1.15
XLogP3
0.7
Consensus LogP
1.05
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
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)
-2.99

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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