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CAS 1185025-37-9 3-(4-BroMophenoxy)piperidine HCl molecular structure lightbox
CAS RN: 1185025-37-9

3-(4-BroMophenoxy)piperidine HCl

  • Product code: SSC-018304
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1185025-37-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry

1185025-37-9 / 3-(4-bromophenoxy)piperidine;hydrochloride

3-(4-Bromophenoxy)piperidine hydrochloride | 3-(4-Bromophenoxy)piperidine HCl | MFCD09997925

Standard CAS: 1185025-37-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1185025-37-9
Multi CAS
No
Molecular Formula
C11H15BrClNO
Molecular Weight
292.600000
Exact Mass
291.002550
SMILES
C1CC(CNC1)OC2=CC=C(C=C2)Br.Cl
InChI
InChI=1S/C11H14BrNO.ClH/c12-9-3-5-10(6-4-9)14-11-2-1-7-13-8-11;/h3-6,11,13H,1-2,7-8H2;1H
InChIKey
HOAHDGROVUHVFG-UHFFFAOYSA-N
Synonyms
3-(4-Bromophenoxy)piperidine hydrochloride 3-(4-Bromophenoxy)piperidine HCl MFCD09997925 3-(4-bromophenoxy)piperidine;hydrochloride AKOS015843593

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
67.91
TPSA
21.26

LogP / Solubility

WLOGP
3
MLOGP
2.65
XLogP3
3
Consensus LogP
2.88
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.29
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)
-2.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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