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CAS 52191-26-1 3-(CHLOROACETAMIDOETHYL)INDOLE molecular structure lightbox
CAS RN: 52191-26-1

3-(CHLOROACETAMIDOETHYL)INDOLE

  • Product code: SSC-159276
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 52191-26-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry

52191-26-1 / 2-chloro-N-[2-(1H-indol-3-yl)ethyl]acetamide

Standard CAS: 52191-26-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52191-26-1
Multi CAS
Yes
Molecular Formula
C12H13CLN2O
Molecular Weight
236.700000
Exact Mass
236.071641
InChI
InChI=1S/C12H13ClN2O/c13-7-12(16)14-6-5-9-8-15-11-4-2-1-3-10(9)11/h1-4,8,15H,5-7H2,(H,14,16)
InChIKey
VUOXPQXFKCXXFF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
2
Molar refractivity
65.73
TPSA
44.89

LogP / Solubility

WLOGP
2.07
MLOGP
1.82
XLogP3
2.4
Consensus LogP
2.1
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.39
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)
-2.7

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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