![CAS 1353972-68-5 [1-(4-Fluoro-benzenesulfonyl)-piperidin-3-yl]-Methyl-aMine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB52577398(1).gif)
CAS RN: 1353972-68-5
[1-(4-Fluoro-benzenesulfonyl)-piperidin-3-yl]-Methyl-aMine hydrochloride
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.20250214 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1353972-68-5
- Purity/Analytical Methods: >99.0%
1353972-68-5 / 1-(4-fluorophenyl)sulfonyl-N-methylpiperidin-3-amine;hydrochloride
Basic Information
CAS
1353972-68-5
Multi CAS
No
Molecular Formula
C12H18ClFN2O2S
Molecular Weight
308.800000
Exact Mass
308.076155
SMILES
CNC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)F.Cl
InChI
InChI=1S/C12H17FN2O2S.ClH/c1-14-11-3-2-8-15(9-11)18(16,17)12-6-4-10(13)5-7-12;/h4-7,11,14H,2-3,8-9H2,1H3;1H
InChIKey
FNLFYBBLYHJTKL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.49
TPSA
49.41
LogP / Solubility
WLOGP
1.62
MLOGP
1.44
XLogP3
1.62
Consensus LogP
1.56
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
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)
-3.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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