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CAS 54298-70-3 3-(5-bromo-1H-indol-3-yl)propan-1-amine molecular structure lightbox
CAS RN: 54298-70-3

3-(5-bromo-1H-indol-3-yl)propan-1-amine

  • Product code: SSC-161929
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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, 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 54298-70-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Hong Kong Inquiry
0.25g >95% 2 In Stock Shanghai Inquiry
1g >95% 2 In Stock Shenzhen Inquiry
5g >95% 2 In Stock Shanghai Inquiry

54298-70-3 / 3-(5-bromo-1H-indol-3-yl)propan-1-amine

Standard CAS: 54298-70-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54298-70-3
Multi CAS
No
Molecular Formula
BC11H13Rn2
Molecular Weight
253.140000
Exact Mass
252.026210
InChI
InChI=1S/C11H13BrN2/c12-9-3-4-11-10(6-9)8(7-14-11)2-1-5-13/h3-4,6-7,14H,1-2,5,13H2
InChIKey
MMVPOSHIIJONDU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
2
Molar refractivity
63.37
TPSA
41.81

LogP / Solubility

WLOGP
2.82
MLOGP
2.49
XLogP3
1.6
Consensus LogP
2.3
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.26

Drug-likeness / Medicinal Chemistry

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

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