![CAS 16017-63-3 2-[4-(phenylsulfonyl)piperazino]-1-ethanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/16017-63-3.gif)
CAS RN: 16017-63-3
2-[4-(phenylsulfonyl)piperazino]-1-ethanol
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.20260506 | 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS16017-63-3
- Purity/Analytical Methods: >99.0%
16017-63-3 / 2-[4-(benzenesulfonyl)piperazin-1-yl]ethanol
Basic Information
CAS
16017-63-3
Multi CAS
No
Molecular Formula
C12H18N2O3S
Molecular Weight
270.350000
Exact Mass
270.103814
SMILES
C1CN(CCN1CCO)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H18N2O3S/c15-11-10-13-6-8-14(9-7-13)18(16,17)12-4-2-1-3-5-12/h1-5,15H,6-11H2
InChIKey
WUPAFAQQVCZXOD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.73
TPSA
60.85
LogP / Solubility
WLOGP
-0.01
XLogP3
0.2
Consensus LogP
0.06
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
Class (SILICOS-IT)
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)
-4.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
-
-
5-ACETALDEHYDEYL-4,6-DICHLOROPYRIMIDINE
- CAS RN: 16019-33-3
- Product Code: starshine_CAS16019-33-3
- Purity/Analytical method: >99.0%
