CAS RN: 679394-11-7
N-(4-bromo-1-methyl-1H-pyrazol-5-yl)-2,2-dimethylpropanamide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251213 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS679394-11-7
- Purity/Analytical Methods: >99.0%
679394-11-7 / N-(4-bromo-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide
Basic Information
CAS
679394-11-7
Multi CAS
No
Molecular Formula
BC9H14ORn3
Molecular Weight
260.130000
Exact Mass
259.032020
InChI
InChI=1S/C9H14BrN3O/c1-9(2,3)8(14)12-7-6(10)5-11-13(7)4/h5H,1-4H3,(H,12,14)
InChIKey
JPZOLCXLKKHBHT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.99
TPSA
46.92
LogP / Solubility
WLOGP
2.17
MLOGP
1.91
XLogP3
1.8
Consensus LogP
1.96
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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