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CAS 58697-64-6 2-(2-methoxy-5-methyl-phenyl)-1H-indole molecular structure lightbox
CAS RN: 58697-64-6

2-(2-methoxy-5-methyl-phenyl)-1H-indole

  • Product code: SSC-167006
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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: 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 58697-64-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Shenzhen Inquiry
0.25g >97% 2 In Stock Shenzhen Inquiry
1g >97% 2 In Stock Beijing Inquiry

58697-64-6 / 2-(2-methoxy-5-methylphenyl)-1H-indole

Standard CAS: 58697-64-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58697-64-6
Multi CAS
Yes
Molecular Formula
C16H15NO
Molecular Weight
237.300000
Exact Mass
237.115364
InChI
InChI=1S/C16H15NO/c1-11-7-8-16(18-2)13(9-11)15-10-12-5-3-4-6-14(12)17-15/h3-10,17H,1-2H3
InChIKey
IIKGIENOMFAECG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
75.02
TPSA
25.02

LogP / Solubility

WLOGP
4.15
MLOGP
3.66
XLogP3
4
Consensus LogP
3.94
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.89
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)
-1.22

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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