CAS RN: 1125518-67-3
1-(2-bromotetrafluoroethyl)-3,5-dimethylpyrazole
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250420 | 100mg | In stock | Shenzhen, Tianjin, Wuhan | Inquiry | |
| Batchno.20260404 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250807 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20251105 | 250mg | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20260224 | 5g | In stock | Shenzhen | Inquiry |
- Product code: starshine_CAS1125518-67-3
- Purity/Analytical Methods: >99.0%
1125518-67-3 / 1-(2-bromo-1,1,2,2-tetrafluoroethyl)-3,5-dimethylpyrazole
1-(2-bromo-1,1,2,2-tetrafluoroethyl)-3,5-dimethyl-1H-pyrazole | MFCD31618522 | 1-(2-bromo-1,1,2,2-tetrafluoroethyl)-3,5-dimethylpyrazole
Basic Information
CAS
1125518-67-3
Multi CAS
Yes
Molecular Formula
C7H7BrF4N2
Molecular Weight
275.040000
Exact Mass
273.972870
SMILES
CC1=CC(=NN1C(C(F)(F)Br)(F)F)C
InChI
InChI=1S/C7H7BrF4N2/c1-4-3-5(2)14(13-4)7(11,12)6(8,9)10/h3H,1-2H3
InChIKey
FJTGRQKTLDZQMZ-UHFFFAOYSA-N
Synonyms
1-(2-bromo-1,1,2,2-tetrafluoroethyl)-3,5-dimethyl-1H-pyrazole
MFCD31618522
1-(2-bromo-1,1,2,2-tetrafluoroethyl)-3,5-dimethylpyrazole
C7H7BrF4N2
orb2645491
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
45.77
TPSA
17.82
LogP / Solubility
WLOGP
3.04
MLOGP
2.68
XLogP3
3.2
Consensus LogP
2.97
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.21
Class (SILICOS-IT)
Slightly 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)
-2.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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