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CAS 65826-96-2 1H-Indole,2,3-dihydro-5-(1-methylethyl)-(9CI) molecular structure lightbox
CAS RN: 65826-96-2

1H-Indole,2,3-dihydro-5-(1-methylethyl)-(9CI)

  • Product code: SSC-175464
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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: >95%
  • Inventory rows with stock: 1
  • 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 65826-96-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 0 Out of Stock Shanghai Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

65826-96-2 / 5-propan-2-yl-2,3-dihydro-1H-indole

Standard CAS: 65826-96-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
65826-96-2
Multi CAS
No
Molecular Formula
C11H15N
Molecular Weight
161.240000
Exact Mass
161.120449
InChI
InChI=1S/C11H15N/c1-8(2)9-3-4-11-10(7-9)5-6-12-11/h3-4,7-8,12H,5-6H2,1-2H3
InChIKey
LCIJJWUQMXUQQI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
52.72
TPSA
12.03

LogP / Solubility

WLOGP
2.78
MLOGP
2.44
XLogP3
3.1
Consensus LogP
2.77
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly 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)
-1.73

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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