CAS RN: 845305-90-0
5-Bromo-N-isopropylpicolinamide
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.20250509 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS845305-90-0
- Purity/Analytical Methods: >99.0%
845305-90-0 / 5-bromo-N-propan-2-ylpyridine-2-carboxamide
Basic Information
CAS
845305-90-0
Multi CAS
Yes
Molecular Formula
BC9H11ORn2
Molecular Weight
243.100000
Exact Mass
242.005480
InChI
InChI=1S/C9H11BrN2O/c1-6(2)12-9(13)8-4-3-7(10)5-11-8/h3-6H,1-2H3,(H,12,13)
InChIKey
OQBRIMFEDJWHMB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.54
TPSA
41.99
LogP / Solubility
WLOGP
1.98
MLOGP
1.75
XLogP3
2
Consensus LogP
1.91
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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