CAS RN: 7379-71-7

2(1H)-Pyridinone,1-ethenyl-(9CI)

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Batchno.20250519 10g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS7379-71-7
  • Purity/Analytical Methods: >99.0%
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7379-71-7 / 1-ethenylpyridin-2-one

Standard CAS: 7379-71-7 Multi CAS: No

Basic Information

CAS
7379-71-7
Multi CAS
No
Molecular Formula
C7H7NO
Molecular Weight
121.140000
Exact Mass
121.052764
InChI
InChI=1S/C7H7NO/c1-2-8-6-4-3-5-7(8)9/h2-6H,1H2
InChIKey
NFPLJTNXOKFJRO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
37.09
TPSA
22

LogP / Solubility

WLOGP
0.95
MLOGP
0.83
XLogP3
0.9
Consensus LogP
0.89
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.35
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)
-2.79

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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