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CAS 882562-40-5 1-(benzenesulfonyl)-3-(2,5-dichloropyriMidin-4-yl)-1H-indole molecular structure lightbox
CAS RN: 882562-40-5

1-(benzenesulfonyl)-3-(2,5-dichloropyriMidin-4-yl)-1H-indole

  • Product code: SSC-198795
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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
  • 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 882562-40-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 1 In Stock Shenzhen Inquiry
0.25g ≥97% 1 In Stock Hong Kong Inquiry
1g ≥97% 1 In Stock Hong Kong Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry

882562-40-5 / 1-(benzenesulfonyl)-3-(2,5-dichloropyrimidin-4-yl)indole

Standard CAS: 882562-40-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
882562-40-5
Multi CAS
No
Molecular Formula
C18H11CL2N3O2S
Molecular Weight
404.300000
Exact Mass
402.994903
InChI
InChI=1S/C18H11Cl2N3O2S/c19-15-10-21-18(20)22-17(15)14-11-23(16-9-5-4-8-13(14)16)26(24,25)12-6-2-1-3-7-12/h1-11H
InChIKey
ZSDGZYGEBQECGY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
21
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
102.01
TPSA
64.85

LogP / Solubility

WLOGP
4.64
MLOGP
4.11
XLogP3
4.8
Consensus LogP
4.52
Log S (ESOL)
-5.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.5
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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