![CAS 925920-75-8 Benzenamine, 3-[[4-(methylsulfonyl)-1-piperazinyl]methyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/925920-75-8.gif)
CAS RN: 925920-75-8
Benzenamine, 3-[[4-(methylsulfonyl)-1-piperazinyl]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.20250912 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS925920-75-8
- Purity/Analytical Methods: >99.0%
925920-75-8 / 3-[(4-methylsulfonylpiperazin-1-yl)methyl]aniline
Basic Information
CAS
925920-75-8
Multi CAS
No
Molecular Formula
C12H19N3O2S
Molecular Weight
269.370000
Exact Mass
269.119798
InChI
InChI=1S/C12H19N3O2S/c1-18(16,17)15-7-5-14(6-8-15)10-11-3-2-4-12(13)9-11/h2-4,9H,5-8,10,13H2,1H3
InChIKey
LZIYUGFBSGFVIP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
72.55
TPSA
66.64
LogP / Solubility
WLOGP
0.35
MLOGP
0.31
XLogP3
0.1
Consensus LogP
0.25
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.06
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.12
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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