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CAS 1408058-15-0 3-(AMinoMethyl)indoline Dihydrochloride molecular structure lightbox
CAS RN: 1408058-15-0

3-(AMinoMethyl)indoline Dihydrochloride

  • Product code: SSC-051300
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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
  • Available purity: >97%
  • Inventory rows with stock: 2
  • 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 1408058-15-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Shenzhen Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry

1408058-15-0 / 2,3-dihydro-1H-indol-3-ylmethanamine;dihydrochloride

Standard CAS: 1408058-15-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1408058-15-0
Multi CAS
No
Molecular Formula
C9H14Cl2N2
Molecular Weight
221.120000
Exact Mass
220.053404
SMILES
C1C(C2=CC=CC=C2N1)CN.Cl.Cl
InChI
InChI=1S/C9H12N2.2ClH/c10-5-7-6-11-9-4-2-1-3-8(7)9;;/h1-4,7,11H,5-6,10H2;2*1H
InChIKey
ARTTZLFUCMQWKJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
61.22
TPSA
38.05

LogP / Solubility

WLOGP
2
MLOGP
1.76
XLogP3
2
Consensus LogP
1.92
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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