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CAS 1228571-46-7 (1S)-6-CHLORO-2,3-DIHYDRO-1H-INDEN-1-AMINE molecular structure lightbox
CAS RN: 1228571-46-7

(1S)-6-CHLORO-2,3-DIHYDRO-1H-INDEN-1-AMINE

  • Product code: SSC-026464
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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, 0.1g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 1228571-46-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 2 In Stock Shenzhen Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry

1228571-46-7 / (1S)-6-chloro-2,3-dihydro-1H-inden-1-amine

Standard CAS: 1228571-46-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1228571-46-7
Multi CAS
No
Molecular Formula
C9H10ClN
Molecular Weight
167.630000
Exact Mass
167.050177
SMILES
C1CC2=C([C@H]1N)C=C(C=C2)Cl
InChI
InChI=1S/C9H10ClN/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5,9H,2,4,11H2/t9-/m0/s1
InChIKey
RDDLLTZZPGSGPO-VIFPVBQESA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.7
TPSA
26.02

LogP / Solubility

WLOGP
2.29
MLOGP
2.01
XLogP3
1.8
Consensus LogP
2.03
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-2.12

Drug-likeness / Medicinal Chemistry

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

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