CAS RN: 1211431-11-6
4-(4-Chloro-phenylsulfanylMethyl)-piperidine 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.20250328 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1211431-11-6
- Purity/Analytical Methods: >99.0%
1211431-11-6 / 4-[(4-chlorophenyl)sulfanylmethyl]piperidine;hydrochloride
4-(((4-Chlorophenyl)thio)methyl)piperidine hydrochloride | 4-(4-Chloro-phenylsulfanylmethyl)-piperidine hydrochloride | 4-{[(4-chlorophenyl)sulfanyl]methyl}piperidine hydrochloride
Basic Information
CAS
1211431-11-6
Multi CAS
No
Molecular Formula
C12H17Cl2NS
Molecular Weight
278.200000
Exact Mass
277.045876
SMILES
C1CNCCC1CSC2=CC=C(C=C2)Cl.Cl
InChI
InChI=1S/C12H16ClNS.ClH/c13-11-1-3-12(4-2-11)15-9-10-5-7-14-8-6-10;/h1-4,10,14H,5-9H2;1H
InChIKey
HDGWJZWOUBTEDH-UHFFFAOYSA-N
Synonyms
4-(((4-Chlorophenyl)thio)methyl)piperidine hydrochloride
4-(4-Chloro-phenylsulfanylmethyl)-piperidine hydrochloride
4-{[(4-chlorophenyl)sulfanyl]methyl}piperidine hydrochloride
4-[(4-chlorophenyl)sulfanylmethyl]piperidine;hydrochloride
4-{[(4-chlorophenyl)thio]methyl}piperidine hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
75.02
TPSA
12.03
LogP / Solubility
WLOGP
3.85
MLOGP
3.4
XLogP3
3.85
Consensus LogP
3.7
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.03
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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