![CAS 161836-07-3 7-bromo-4-chloro-1H,2H,3H-imidazo[4,5-c]pyridin-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/161836-07-3.gif)
CAS RN: 161836-07-3
7-bromo-4-chloro-1H,2H,3H-imidazo[4,5-c]pyridin-2-one
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250502 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS161836-07-3
- Purity/Analytical Methods: >99.0%
161836-07-3 / 7-bromo-4-chloro-1,3-dihydroimidazo[4,5-c]pyridin-2-one
Basic Information
CAS
161836-07-3
Multi CAS
No
Molecular Formula
C6H3BrClN3O
Molecular Weight
248.460000
Exact Mass
246.914800
SMILES
C1=C(C2=C(C(=N1)Cl)NC(=O)N2)Br
InChI
InChI=1S/C6H3BrClN3O/c7-2-1-9-5(8)4-3(2)10-6(12)11-4/h1H,(H2,10,11,12)
InChIKey
AWEDXVNNALVOFU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.42
TPSA
61.54
LogP / Solubility
WLOGP
1.67
MLOGP
1.47
XLogP3
1.1
Consensus LogP
1.41
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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