[email protected]
CAS 101798-76-9 4-(4-FLUOROPHENYLSULFANYL)PIPERIDINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 101798-76-9

4-(4-FLUOROPHENYLSULFANYL)PIPERIDINE HYDROCHLORIDE

  • Product code: SSC-002827
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 101798-76-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

101798-76-9 / 4-(4-fluorophenyl)sulfanylpiperidine;hydrochloride

4-((4-fluorophenyl)thio)piperidine hydrochloride | 4-(4-Fluoro-phenylsulfanyl)-piperidine hydrochloride | 4-(4-Fluorophenylsulfanyl)piperidine hydrochloride

Standard CAS: 101798-76-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
101798-76-9
Multi CAS
Yes
Molecular Formula
C11H15ClFNS
Molecular Weight
247.760000
Exact Mass
247.059777
SMILES
C1CNCCC1SC2=CC=C(C=C2)F.Cl
InChI
InChI=1S/C11H14FNS.ClH/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11;/h1-4,11,13H,5-8H2;1H
InChIKey
FJAXUSZPOIHXJR-UHFFFAOYSA-N
Synonyms
4-((4-fluorophenyl)thio)piperidine hydrochloride 4-(4-Fluoro-phenylsulfanyl)-piperidine hydrochloride 4-(4-Fluorophenylsulfanyl)piperidine hydrochloride MFCD04117760 4-(4-FLUOROPHENYLSULFANYL)PIPERIDINE HCL

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
65.4
TPSA
12.03

LogP / Solubility

WLOGP
3.09
MLOGP
2.73
XLogP3
3.09
Consensus LogP
2.97
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us