CAS RN: 95472-32-5
4-Bromo-1H-pyrazole-3,5-d2
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.20251116 | 20mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINB889832
95472-32-5 / 4-bromo-3,5-dideuterio-1H-pyrazole
Basic Information
CAS
95472-32-5
Multi CAS
No
Molecular Formula
BC3H3Rn2
Molecular Weight
148.990000
Exact Mass
147.960510
InChI
InChI=1S/C3H3BrN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)/i1D,2D
InChIKey
WVGCPEDBFHEHEZ-QDNHWIQGSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Aromatic heavy atom count
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
26.29
TPSA
28.68
LogP / Solubility
WLOGP
1.17
MLOGP
1.03
XLogP3
0.3
Consensus LogP
0.83
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
Class (SILICOS-IT)
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)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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