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CAS 122902-82-3 2-amino-N-[2-(1H-indol-3-yl)ethyl]acetamide molecular structure lightbox
CAS RN: 122902-82-3

2-amino-N-[2-(1H-indol-3-yl)ethyl]acetamide

  • Product code: SSC-026601
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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: 1g
  • 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 122902-82-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

122902-82-3 / 2-amino-N-[2-(1H-indol-3-yl)ethyl]acetamide

Standard CAS: 122902-82-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
122902-82-3
Multi CAS
No
Molecular Formula
C12H15N3O
Molecular Weight
217.270000
Exact Mass
217.121512
SMILES
C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CN
InChI
InChI=1S/C12H15N3O/c13-7-12(16)14-6-5-9-8-15-11-4-2-1-3-10(9)11/h1-4,8,15H,5-7,13H2,(H,14,16)
InChIKey
APXFWBYFEVCORP-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
2
H-bond donors
3
Molar refractivity
64.07
TPSA
70.91

LogP / Solubility

WLOGP
0.79
MLOGP
0.69
XLogP3
0.9
Consensus LogP
0.79
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.2
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.49

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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