CAS RN: 72388-15-9
2-(4-(Methylsulfonyl)piperazin-1-yl)propan-1-ol, 96% (predominantly (S-))
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.20250324 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINM892644
72388-15-9 / 2-(4-methylsulfonylpiperazin-1-yl)propan-1-ol
Basic Information
CAS
72388-15-9
Multi CAS
No
Molecular Formula
C8H18N2O3S
Molecular Weight
222.310000
Exact Mass
222.103814
InChI
InChI=1S/C8H18N2O3S/c1-8(7-11)9-3-5-10(6-4-9)14(2,12)13/h8,11H,3-7H2,1-2H3
InChIKey
CQWZDNQPWZGQGY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
54.54
TPSA
60.85
LogP / Solubility
WLOGP
-1.06
MLOGP
-0.93
XLogP3
-0.9
Consensus LogP
-0.96
Log S (ESOL)
-0.36
Class (ESOL)
Very soluble
Log S (Ali)
-0.62
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.59
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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