![CAS 7356-55-0 1-[(4-ISOTHIOCYANATOPHENYL)SULFONYL]PIPERIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/7356-55-0.gif)
CAS RN: 7356-55-0
1-[(4-ISOTHIOCYANATOPHENYL)SULFONYL]PIPERIDINE
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.20250519 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS7356-55-0
- Purity/Analytical Methods: >99.0%
7356-55-0 / 1-(4-isothiocyanatophenyl)sulfonylpiperidine
Basic Information
CAS
7356-55-0
Multi CAS
Yes
Molecular Formula
C12H14N2O2S2
Molecular Weight
282.400000
Exact Mass
282.049670
InChI
InChI=1S/C12H14N2O2S2/c15-18(16,14-8-2-1-3-9-14)12-6-4-11(5-7-12)13-10-17/h4-7H,1-3,8-9H2
InChIKey
PMPSZAXEUCIVDC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
73.74
TPSA
49.74
LogP / Solubility
WLOGP
2.6
MLOGP
2.29
XLogP3
3.3
Consensus LogP
2.73
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly 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)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
