CAS RN: 1249484-03-4
5-bromo-2-(1H-pyrazol-1-yl)pyridin-3-amine
- Product code: SSC-029323
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1249484-03-4 / 5-bromo-2-pyrazol-1-ylpyridin-3-amine
Basic Information
CAS
1249484-03-4
Multi CAS
No
Molecular Formula
C8H7BrN4
Molecular Weight
239.070000
Exact Mass
237.985410
SMILES
C1=CN(N=C1)C2=C(C=C(C=N2)Br)N
InChI
InChI=1S/C8H7BrN4/c9-6-4-7(10)8(11-5-6)13-3-1-2-12-13/h1-5H,10H2
InChIKey
XCYKKNXFSZJUBS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
53.47
TPSA
56.73
LogP / Solubility
WLOGP
1.61
MLOGP
1.42
XLogP3
1.2
Consensus LogP
1.41
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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)
-3.03
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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