CAS RN: 166196-67-4
5-(5-BROMO-2-THIENYL)-1H-PYRAZOLE
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.20251217 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS166196-67-4
- Purity/Analytical Methods: >99.0%
166196-67-4 / 5-(5-bromothiophen-2-yl)-1H-pyrazole
Basic Information
CAS
166196-67-4
Multi CAS
No
Molecular Formula
C7H5BrN2S
Molecular Weight
229.100000
Exact Mass
227.935680
SMILES
C1=C(SC(=C1)Br)C2=CC=NN2
InChI
InChI=1S/C7H5BrN2S/c8-7-2-1-6(11-7)5-3-4-9-10-5/h1-4H,(H,9,10)
InChIKey
RBOKZFIVGFLORX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.6
TPSA
28.68
LogP / Solubility
WLOGP
2.9
MLOGP
2.56
XLogP3
2.6
Consensus LogP
2.69
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
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)
-2.06
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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