CAS RN: 1363254-08-3
4-Bromo-1-(3-bromophenyl)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.20250624 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1363254-08-3
- Purity/Analytical Methods: >99.0%
1363254-08-3 / 4-bromo-1-(3-bromophenyl)pyrazole
Basic Information
CAS
1363254-08-3
Multi CAS
No
Molecular Formula
C9H6Br2N2
Molecular Weight
301.960000
Exact Mass
301.887720
SMILES
C1=CC(=CC(=C1)Br)N2C=C(C=N2)Br
InChI
InChI=1S/C9H6Br2N2/c10-7-2-1-3-9(4-7)13-6-8(11)5-12-13/h1-6H
InChIKey
JLYNVRAZUGWRCF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
58.96
TPSA
17.82
LogP / Solubility
WLOGP
3.4
MLOGP
3
XLogP3
3.3
Consensus LogP
3.23
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.15
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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