CAS RN: 853748-41-1
6-(3-METHYL-1H-PYRAZOL-1-YL)-2-BROMOPYRIDINE
- Product code: SSC-193728
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 | Shenzhen | Inquiry |
853748-41-1 / 2-bromo-6-(3-methylpyrazol-1-yl)pyridine
Basic Information
CAS
853748-41-1
Multi CAS
No
Molecular Formula
BC9H8Rn3
Molecular Weight
238.080000
Exact Mass
236.990160
InChI
InChI=1S/C9H8BrN3/c1-7-5-6-13(12-7)9-4-2-3-8(10)11-9/h2-6H,1H3
InChIKey
LIKBRPBMSLWVFN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
53.8
TPSA
30.71
LogP / Solubility
WLOGP
2.34
MLOGP
2.06
XLogP3
2.6
Consensus LogP
2.33
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.2
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
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51
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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