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CAS 69712-10-3 Piperidine, 4-(2-bromoethyl)-, hydrobromide molecular structure lightbox
CAS RN: 69712-10-3

Piperidine, 4-(2-bromoethyl)-, hydrobromide

  • Product code: SSC-179445
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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: 0.25g, 0.1g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 69712-10-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 4 In Stock Hong Kong Inquiry
0.1g ≥95% 3 In Stock Hong Kong Inquiry
1g ≥95% 3 In Stock Beijing Inquiry
5g ≥95% 3 In Stock Shanghai Inquiry

69712-10-3 / 4-(2-bromoethyl)piperidine;hydrobromide

Standard CAS: 69712-10-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
69712-10-3
Multi CAS
No
Molecular Formula
C7H15BR2N
Molecular Weight
273.010000
Exact Mass
272.955080
InChI
InChI=1S/C7H14BrN.BrH/c8-4-1-7-2-5-9-6-3-7;/h7,9H,1-6H2;1H
InChIKey
INDALHSRWRYEFF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.33
TPSA
12.03

LogP / Solubility

WLOGP
2.35
MLOGP
2.08
XLogP3
2.35
Consensus LogP
2.26
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72

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

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