CAS RN: 916488-42-1
1-(2-METHANESULFONYL-PHENYL)-PIPERAZINE DIHYDROCHLORIDE
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.20260102 | 250mg / 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS916488-42-1
- Purity/Analytical Methods: >99.0%
916488-42-1 / 1-(2-methylsulfonylphenyl)piperazine;dihydrochloride
Basic Information
CAS
916488-42-1
Multi CAS
Yes
Molecular Formula
C11H18CL2N2O2S
Molecular Weight
313.200000
Exact Mass
312.046604
InChI
InChI=1S/C11H16N2O2S.ClH/c1-16(14,15)11-5-3-2-4-10(11)13-8-6-12-7-9-13;/h2-5,12H,6-9H2,1H3;1H
InChIKey
IUPNZPVYAOOERH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
79.13
TPSA
49.41
LogP / Solubility
WLOGP
1.34
MLOGP
1.2
XLogP3
1.34
Consensus LogP
1.29
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.05
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)
-3.68
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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