![CAS 82722-74-5 4H-IMidazo[4,5-c]pyridin-4-one, 3,5-dihydro-7-nitro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/82722-74-5.gif)
CAS RN: 82722-74-5
4H-IMidazo[4,5-c]pyridin-4-one, 3,5-dihydro-7-nitro-
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260318 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS82722-74-5
- Purity/Analytical Methods: >99.0%
82722-74-5 / 7-nitro-3,5-dihydroimidazo[4,5-c]pyridin-4-one
Basic Information
CAS
82722-74-5
Multi CAS
Yes
Molecular Formula
C6H4N4O3
Molecular Weight
180.120000
Exact Mass
180.028340
InChI
InChI=1S/C6H4N4O3/c11-6-5-4(8-2-9-5)3(1-7-6)10(12)13/h1-2H,(H,7,11)(H,8,9)
InChIKey
UPBLMGMIIRGNIK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
43.37
TPSA
104.68
LogP / Solubility
WLOGP
0.16
MLOGP
0.14
XLogP3
-0.6
Consensus LogP
-0.1
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.08
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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