![CAS 97630-01-8 1-[[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL]PIPERAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB3328747.gif)
CAS RN: 97630-01-8
1-[[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL]PIPERAZINE
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.20250330 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS97630-01-8
- Purity/Analytical Methods: >99.0%
97630-01-8 / 1-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
Basic Information
CAS
97630-01-8
Multi CAS
No
Molecular Formula
C11F3H13N2O2S
Molecular Weight
294.300000
Exact Mass
294.064983
InChI
InChI=1S/C11H13F3N2O2S/c12-11(13,14)9-2-1-3-10(8-9)19(17,18)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2
InChIKey
HIYPETNTYHIVOH-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
3
H-bond donors
1
Molar refractivity
63.07
TPSA
49.41
LogP / Solubility
WLOGP
1.3
MLOGP
1.15
XLogP3
1.3
Consensus LogP
1.25
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately 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)
-3.59
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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