![CAS 58315-38-1 N-[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]PIPERAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/58315-38-1.gif)
CAS RN: 58315-38-1
N-[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]PIPERAZINE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250409 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS58315-38-1
- Purity/Analytical Methods: >99.0%
58315-38-1 / 1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
Basic Information
CAS
58315-38-1
Multi CAS
Yes
Molecular Formula
C11F3H12N3O2
Molecular Weight
275.230000
Exact Mass
275.088161
InChI
InChI=1S/C11H12F3N3O2/c12-11(13,14)8-1-2-9(10(7-8)17(18)19)16-5-3-15-4-6-16/h1-2,7,15H,3-6H2
InChIKey
YOBUPGXTLFRIJD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.18
TPSA
58.41
LogP / Solubility
WLOGP
2.02
MLOGP
1.79
XLogP3
2.1
Consensus LogP
1.97
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.96
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
Customers Also Viewed
-
Saikosaponin B2
- CAS RN: 58316-41-9
- Product Code: starshine_CAS58316-41-9
- Purity/Analytical method: >99.0%
-
Saikosaponin B3
- CAS RN: 58316-42-0
- Product Code: starshine_CAS58316-42-0
- Purity/Analytical method: >99.0%
-
3,7-Diazabicyclo[3.3.1]nonan-9-one, 3-methyl-7-(phenylmethyl)-
- CAS RN: 58324-92-8
- Product Code: starshine_CAS58324-92-8
- Purity/Analytical method: >99.0%
-
-
3-AMINOTHIENO[2,3-B]PYRIDINE-2-CARBOXYLIC ACID
- CAS RN: 58327-75-6
- Product Code: SSC-166566
-
3-AMINO-4,6-DIMETHYLTHIENO[2,3-B]PYRIDINE-2-CARBOXYLIC ACID
- CAS RN: 58327-76-7
- Product Code: SSC-166567
![CAS 58324-92-8 3,7-Diazabicyclo[3.3.1]nonan-9-one, 3-methyl-7-(phenylmethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/58324-92-8.gif)
![CAS 58326-34-4 1,6-DIHYDROPYRROLO[2,3-B]PYRROLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/58326-34-4.gif)
![CAS 58327-75-6 3-AMINOTHIENO[2,3-B]PYRIDINE-2-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/58327-75-6.gif)
![CAS 58327-76-7 3-AMINO-4,6-DIMETHYLTHIENO[2,3-B]PYRIDINE-2-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/58327-76-7.gif)