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CAS 1176740-73-0 5-(2,6-DiMethylphenyl)indoline molecular structure lightbox
CAS RN: 1176740-73-0

5-(2,6-DiMethylphenyl)indoline

  • Product code: SSC-017526
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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, 1g, 0.25g
  • 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 1176740-73-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
1g >97% 1 In Stock Hong Kong Inquiry
0.25g >97% 0 Out of Stock Shenzhen Inquiry

1176740-73-0 / 5-(2,6-dimethylphenyl)-2,3-dihydro-1H-indole

5-(2,6-Dimethylphenyl)indoline | 5-(2,6-dimethylphenyl)-2,3-dihydro-1H-Indole | MFCD11878807

Standard CAS: 1176740-73-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1176740-73-0
Multi CAS
No
Molecular Formula
C16H17N
Molecular Weight
223.310000
Exact Mass
223.136100
SMILES
CC1=C(C(=CC=C1)C)C2=CC3=C(C=C2)NCC3
InChI
InChI=1S/C16H17N/c1-11-4-3-5-12(2)16(11)14-6-7-15-13(10-14)8-9-17-15/h3-7,10,17H,8-9H2,1-2H3
InChIKey
BJTXJWHVSAAQJQ-UHFFFAOYSA-N
Synonyms
5-(2,6-Dimethylphenyl)indoline 5-(2,6-dimethylphenyl)-2,3-dihydro-1H-Indole MFCD11878807 5-(26-Dimethylphenyl)indoline AKOS022229568

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
73.55
TPSA
12.03

LogP / Solubility

WLOGP
3.94
MLOGP
3.47
XLogP3
4.3
Consensus LogP
3.9
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.29

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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