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CAS 57506-64-6 N-(3-Indolylmethyl)benzylamine molecular structure lightbox
CAS RN: 57506-64-6

N-(3-Indolylmethyl)benzylamine

  • Product code: SSC-165678
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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, 10g
  • Available purity: ≥97%
  • 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 57506-64-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 5 In Stock Hong Kong Inquiry
0.25g ≥97% 5 In Stock Beijing Inquiry
1g ≥97% 5 In Stock Hong Kong Inquiry
5g ≥97% 2 In Stock Shenzhen Inquiry
10g ≥97% 1 In Stock Beijing Inquiry

57506-64-6 / N-(1H-indol-3-ylmethyl)-1-phenylmethanamine

Standard CAS: 57506-64-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
57506-64-6
Multi CAS
No
Molecular Formula
C16H16N2
Molecular Weight
236.310000
Exact Mass
236.131349
InChI
InChI=1S/C16H16N2/c1-2-6-13(7-3-1)10-17-11-14-12-18-16-9-5-4-8-15(14)16/h1-9,12,17-18H,10-11H2
InChIKey
HOAMAZXLUBYFFA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
2
Molar refractivity
75.28
TPSA
27.82

LogP / Solubility

WLOGP
3.46
MLOGP
3.05
XLogP3
2.8
Consensus LogP
3.1
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.55
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.71

Drug-likeness / Medicinal Chemistry

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

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