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CAS 66417-73-0 1-Acetyl-3-broMoindole molecular structure lightbox
CAS RN: 66417-73-0

1-Acetyl-3-broMoindole

  • Product code: SSC-176105
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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, 0.25g, 5g, 10g
  • 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 66417-73-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Shanghai Inquiry
0.25g ≥97% 1 In Stock Shanghai Inquiry
5g ≥97% 1 In Stock Beijing Inquiry
10g ≥97% 0 Out of Stock Shenzhen Inquiry

66417-73-0 / 1-(3-bromoindol-1-yl)ethanone

Standard CAS: 66417-73-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
66417-73-0
Multi CAS
Yes
Molecular Formula
BC10H8ORn
Molecular Weight
238.080000
Exact Mass
236.978930
InChI
InChI=1S/C10H8BrNO/c1-7(13)12-6-9(11)8-4-2-3-5-10(8)12/h2-6H,1H3
InChIKey
AYFPZXVRXRMCQX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.1
H-bond acceptors
2
Molar refractivity
55.94
TPSA
22

LogP / Solubility

WLOGP
3.06
MLOGP
2.7
XLogP3
2.6
Consensus LogP
2.79
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2

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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