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CAS 98950-59-5 1-(4-Bromobutyl)piperidine Hydrobromide molecular structure lightbox
CAS RN: 98950-59-5

1-(4-Bromobutyl)piperidine Hydrobromide

  • Product code: SSC-212883
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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, 5g, 10g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • 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 98950-59-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shenzhen Inquiry
0.25g ≥95% 5 In Stock Hong Kong Inquiry
5g ≥95% 5 In Stock Shanghai Inquiry
10g ≥95% 5 In Stock Hong Kong Inquiry
1g ≥95% 1 In Stock Beijing Inquiry

98950-59-5 / 1-(4-bromobutyl)piperidine;hydrobromide

Standard CAS: 98950-59-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
98950-59-5
Multi CAS
No
Molecular Formula
C9H19BR2N
Molecular Weight
301.060000
Exact Mass
300.986380
InChI
InChI=1S/C9H18BrN.BrH/c10-6-2-5-9-11-7-3-1-4-8-11;/h1-9H2;1H
InChIKey
CIGDJCBHNAGUNQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
63.64
TPSA
3.24

LogP / Solubility

WLOGP
3.23
MLOGP
2.85
XLogP3
3.23
Consensus LogP
3.1
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.77
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27

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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