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CAS 586336-25-6 3-(5-methyl-1H-indol-3-yl)propan-1-amine molecular structure lightbox
CAS RN: 586336-25-6

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

  • Product code: SSC-166942
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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: 1g, 5g, 0.25g, 0.1g
  • 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 586336-25-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 4 In Stock Beijing Inquiry
5g ≥95% 3 In Stock Shanghai Inquiry
0.25g ≥95% 2 In Stock Hong Kong Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry

586336-25-6 / 3-(5-methyl-1H-indol-3-yl)propan-1-amine

Standard CAS: 586336-25-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
586336-25-6
Multi CAS
No
Molecular Formula
C12H16N2
Molecular Weight
188.270000
Exact Mass
188.131349
InChI
InChI=1S/C12H16N2/c1-9-4-5-12-11(7-9)10(8-14-12)3-2-6-13/h4-5,7-8,14H,2-3,6,13H2,1H3
InChIKey
KFESEJGQXUWYJU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
2
Molar refractivity
60.41
TPSA
41.81

LogP / Solubility

WLOGP
2.37
MLOGP
2.08
XLogP3
1.8
Consensus LogP
2.08
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.19

Drug-likeness / Medicinal Chemistry

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

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