![CAS 1523618-34-9 [4-HydroxyMethyl-1-(toluene-4-sulfonyl)-piperidin-4-yl]-Methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1523618-34-9.gif)
CAS RN: 1523618-34-9
[4-HydroxyMethyl-1-(toluene-4-sulfonyl)-piperidin-4-yl]-Methanol
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.20260224 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1523618-34-9
- Purity/Analytical Methods: >99.0%
1523618-34-9 / [4-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanol
Basic Information
CAS
1523618-34-9
Multi CAS
No
Molecular Formula
C14H21NO4S
Molecular Weight
299.390000
Exact Mass
299.119129
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(CO)CO
InChI
InChI=1S/C14H21NO4S/c1-12-2-4-13(5-3-12)20(18,19)15-8-6-14(10-16,11-17)7-9-15/h2-5,16-17H,6-11H2,1H3
InChIKey
SSPZMXLYVPOWNY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
75.78
TPSA
77.84
LogP / Solubility
WLOGP
0.75
MLOGP
0.67
XLogP3
0.7
Consensus LogP
0.71
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
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)
-4.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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