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CAS RN: 1353966-85-4
4-Fluoro-N-piperidin-4-ylMethyl-benzenesulfonaMide 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.20250721 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1353966-85-4
- Purity/Analytical Methods: >99.0%
1353966-85-4 / 4-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide;hydrochloride
Basic Information
CAS
1353966-85-4
Multi CAS
No
Molecular Formula
C12H18ClFN2O2S
Molecular Weight
308.800000
Exact Mass
308.076155
SMILES
C1CNCCC1CNS(=O)(=O)C2=CC=C(C=C2)F.Cl
InChI
InChI=1S/C12H17FN2O2S.ClH/c13-11-1-3-12(4-2-11)18(16,17)15-9-10-5-7-14-8-6-10;/h1-4,10,14-15H,5-9H2;1H
InChIKey
IZPVUPDKQBDXLS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
74.43
TPSA
58.2
LogP / Solubility
WLOGP
1.53
MLOGP
1.36
XLogP3
1.53
Consensus LogP
1.47
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
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)
-3.52
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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