CAS RN: 1437795-15-7
1-Isobutyl-3-trifluoroMethyl-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.20260522 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1437795-15-7
- Purity/Analytical Methods: >99.0%
1437795-15-7 / 1-(2-methylpropyl)-3-(trifluoromethyl)pyrazole
Basic Information
CAS
1437795-15-7
Multi CAS
No
Molecular Formula
C8H11F3N2
Molecular Weight
192.180000
Exact Mass
192.087433
SMILES
CC(C)CN1C=CC(=N1)C(F)(F)F
InChI
InChI=1S/C8H11F3N2/c1-6(2)5-13-4-3-7(12-13)8(9,10)11/h3-4,6H,5H2,1-2H3
InChIKey
NYBYYTWVFAAHNG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
42.07
TPSA
17.82
LogP / Solubility
WLOGP
2.56
MLOGP
2.25
XLogP3
2.4
Consensus LogP
2.4
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.27
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)
-2.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1438241-13-4 tert-butyl 2-(aminomethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
tert-butyl 2-(aminomethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
- CAS RN: 1438241-13-4
- Product Code: SSC-055127
-
-
-
cis-3-Hydroxy-3-Methylcyclobutane-1-MethaMine
- CAS RN: 1438241-25-8
- Product Code: SSC-055130
-
2-{3-azabicyclo[3.1.0]hexan-6-yl}acetic acid
- CAS RN: 1438270-98-4
- Product Code: starshine_CAS1438270-98-4
- Purity/Analytical method: >99.0%
-
Mbx2329
- CAS RN: 1438272-42-4
- Product Code: starshine_CAS1438272-42-4
- Purity/Analytical method: >99.0%
![CAS 1438241-13-4 tert-butyl 2-(aminomethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1438241-13-4.gif)
![CAS 1438241-18-9 2-oxaspiro[3.3]heptan-6-ylmethanamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1438241-18-9.gif)
.gif)
![CAS 1438270-98-4 2-{3-azabicyclo[3.1.0]hexan-6-yl}acetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1438270-98-4.gif)
