CAS RN: 1125828-28-5
1H-Pyrazole, 1-(2-bromo-5-chlorophenyl)-5-methyl-
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.20260319 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1125828-28-5
- Purity/Analytical Methods: >99.0%
1125828-28-5 / 1-(2-bromo-5-chlorophenyl)-5-methylpyrazole
1-(2-bromo-5-chlorophenyl)-5-methyl-1H-pyrazole | 1H-Pyrazole, 1-(2-bromo-5-chlorophenyl)-5-methyl- | 1-(2-bromo-5-chlorophenyl)-5-methylpyrazole
Basic Information
CAS
1125828-28-5
Multi CAS
No
Molecular Formula
C10H8BrClN2
Molecular Weight
271.540000
Exact Mass
269.955940
SMILES
CC1=CC=NN1C2=C(C=CC(=C2)Cl)Br
InChI
InChI=1S/C10H8BrClN2/c1-7-4-5-13-14(7)10-6-8(12)2-3-9(10)11/h2-6H,1H3
InChIKey
WNMVVXQVLRSZIN-UHFFFAOYSA-N
Synonyms
1-(2-bromo-5-chlorophenyl)-5-methyl-1H-pyrazole
1H-Pyrazole, 1-(2-bromo-5-chlorophenyl)-5-methyl-
1-(2-bromo-5-chlorophenyl)-5-methylpyrazole
SCHEMBL10005447
WNMVVXQVLRSZIN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
61.01
TPSA
17.82
LogP / Solubility
WLOGP
3.6
MLOGP
3.17
XLogP3
3.6
Consensus LogP
3.46
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.53
Class (SILICOS-IT)
Slightly 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)
-1.82
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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