CAS RN: 1630907-03-7
5-BroMo-1,3-diMethyl-1H-pyrazole hydrobroMide
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.20250416 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1630907-03-7
- Purity/Analytical Methods: >99.0%
1630907-03-7 / 5-bromo-1,3-dimethylpyrazole;hydrobromide
Basic Information
CAS
1630907-03-7
Multi CAS
No
Molecular Formula
C5H8Br2N2
Molecular Weight
255.940000
Exact Mass
255.903370
SMILES
CC1=NN(C(=C1)Br)C.Br
InChI
InChI=1S/C5H7BrN2.BrH/c1-4-3-5(6)8(2)7-4;/h3H,1-2H3;1H
InChIKey
GZYIXMGVPCLVBQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.97
TPSA
17.82
LogP / Solubility
WLOGP
2.07
MLOGP
1.83
XLogP3
2.07
Consensus LogP
1.99
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.04
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)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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