![CAS 428837-53-0 Piperazine, 1-(methylsulfonyl)-4-[(4-nitrophenyl)sulfonyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/428837-53-0.gif)
CAS RN: 428837-53-0
Piperazine, 1-(methylsulfonyl)-4-[(4-nitrophenyl)sulfonyl]-
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.20251231 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS428837-53-0
- Purity/Analytical Methods: >99.0%
428837-53-0 / 1-methylsulfonyl-4-(4-nitrophenyl)sulfonylpiperazine
Basic Information
CAS
428837-53-0
Multi CAS
No
Molecular Formula
C11H15N3O6S2
Molecular Weight
349.400000
Exact Mass
349.040228
InChI
InChI=1S/C11H15N3O6S2/c1-21(17,18)12-6-8-13(9-7-12)22(19,20)11-4-2-10(3-5-11)14(15)16/h2-5H,6-9H2,1H3
InChIKey
ZVEOWUWTDJAKIN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
78.27
TPSA
117.9
LogP / Solubility
WLOGP
-0.14
MLOGP
-0.1
Consensus LogP
-0.08
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
Ethanediamide, N1-(2-furanylmethyl)-N2-1-naphthalenyl-
- CAS RN: 428840-15-7
- Product Code: SSC-151180
-
6-CYCLOHEXYLCARBAMOYL-CYCLOHEX-3-ENECARBOXYLIC ACID
- CAS RN: 428841-22-9
- Product Code: starshine_CAS428841-22-9
- Purity/Analytical method: >99.0%
-
2-[(4-Ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]-propanoic acid
- CAS RN: 428852-21-5
- Product Code: starshine_CAS428852-21-5
- Purity/Analytical method: >99.0%
-
1-[[BIS(PHENYLMETHYL)AMINO]METHYL] CYCLOPROPANOL
- CAS RN: 428855-17-8
- Product Code: SSC-151184
-
[1-(4-METHYLBENZYL)-1H-BENZIMIDAZOL-2-YL]METHANOL
- CAS RN: 428856-23-9
- Product Code: SSC-151186
-
PNU-176798
- CAS RN: 428861-91-0
- Product Code: starshine_CAS428861-91-0
- Purity/Analytical method: >99.0%
![CAS 428852-21-5 2-[(4-Ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]-propanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB22557654.gif)
![CAS 428855-17-8 1-[[BIS(PHENYLMETHYL)AMINO]METHYL] CYCLOPROPANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/428855-17-8.gif)
![CAS 428856-23-9 [1-(4-METHYLBENZYL)-1H-BENZIMIDAZOL-2-YL]METHANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/428856-23-9.gif)
