CAS RN: 101798-65-6
4-PHENYLSULFANYLPIPERIDINE HYDROCHLORIDE
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251202 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS101798-65-6
- Purity/Analytical Methods: >99.0%
101798-65-6 / 4-phenylsulfanylpiperidine
4-(PHENYLTHIO)PIPERIDINE | DTXSID701313136 | RefChem:516630
Basic Information
CAS
101798-65-6
Multi CAS
Yes
Molecular Formula
C11H15NS
Molecular Weight
193.310000
Exact Mass
193.092521
SMILES
C1CNCCC1SC2=CC=CC=C2
InChI
InChI=1S/C11H15NS/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h1-5,11-12H,6-9H2
InChIKey
CMFUYNUDGNDTGC-UHFFFAOYSA-N
Synonyms
4-(PHENYLTHIO)PIPERIDINE
DTXSID701313136
RefChem:516630
DTXCID301438073
4-phenylsulfanylpiperidine
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.19
TPSA
12.03
LogP / Solubility
WLOGP
2.53
MLOGP
2.23
XLogP3
2.6
Consensus LogP
2.45
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.26
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P273, P391, and P501
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