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CAS 116922-80-6 2H-Pyrano[3,2-c]pyridin-2-one(9CI) molecular structure lightbox
CAS RN: 116922-80-6

2H-Pyrano[3,2-c]pyridin-2-one(9CI)

  • Product code: SSC-016751
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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 116922-80-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

116922-80-6 / pyrano[3,2-c]pyridin-2-one

2H-pyrano[3,2-c]pyridin-2-one | PYRANO[3,2-C]PYRIDIN-2-ONE | 2H-Pyrano[3,2-c]pyridin-2-one(9CI)

Standard CAS: 116922-80-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
116922-80-6
Multi CAS
No
Molecular Formula
C8H5NO2
Molecular Weight
147.130000
Exact Mass
147.032028
SMILES
C1=CC(=O)OC2=C1C=NC=C2
InChI
InChI=1S/C8H5NO2/c10-8-2-1-6-5-9-4-3-7(6)11-8/h1-5H
InChIKey
AVHUAXRCQKTOLS-UHFFFAOYSA-N
Synonyms
2H-pyrano[3,2-c]pyridin-2-one PYRANO[3,2-C]PYRIDIN-2-ONE 2H-Pyrano[3,2-c]pyridin-2-one(9CI) pyrano[3,2-c]pyridone pyrano[5,6-c]pyridin-2-one

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
10
H-bond acceptors
3
Molar refractivity
40.28
TPSA
43.1

LogP / Solubility

WLOGP
1.19
MLOGP
1.04
XLogP3
0.8
Consensus LogP
1.01
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
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)
-2.77

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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