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CAS 92013-04-2 1H-Indole, 1-acetyl-6-(chloroacetyl)- (9CI) molecular structure lightbox
CAS RN: 92013-04-2

1H-Indole, 1-acetyl-6-(chloroacetyl)- (9CI)

  • Product code: SSC-205574
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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, 5g, 10g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • 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 92013-04-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Beijing Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry
1g >95% 2 In Stock Beijing Inquiry
5g >95% 2 In Stock Hong Kong Inquiry
10g >95% 2 In Stock Shenzhen Inquiry
25g >95% 2 In Stock Beijing Inquiry

92013-04-2 / 1-(1-acetylindol-6-yl)-2-chloroethanone

Standard CAS: 92013-04-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
92013-04-2
Multi CAS
No
Molecular Formula
C12H10CLNO2
Molecular Weight
235.660000
Exact Mass
235.040006
InChI
InChI=1S/C12H10ClNO2/c1-8(15)14-5-4-9-2-3-10(6-11(9)14)12(16)7-13/h2-6H,7H2,1H3
InChIKey
BYHLFTIPLYCPAW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
63.29
TPSA
39.07

LogP / Solubility

WLOGP
2.72
MLOGP
2.4
XLogP3
2.2
Consensus LogP
2.44
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
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)
-2.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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