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CAS 122570-32-5 (2-oxo-2,3-dihydro-1H-indole-4-yl)acetic acid molecular structure lightbox
CAS RN: 122570-32-5

(2-oxo-2,3-dihydro-1H-indole-4-yl)acetic acid

  • Product code: SSC-025572
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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 122570-32-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

122570-32-5 / 2-(2-oxo-1,3-dihydroindol-4-yl)acetic acid

Standard CAS: 122570-32-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
122570-32-5
Multi CAS
No
Molecular Formula
C10H9NO3
Molecular Weight
191.180000
Exact Mass
191.058243
SMILES
C1C2=C(C=CC=C2NC1=O)CC(=O)O
InChI
InChI=1S/C10H9NO3/c12-9-5-7-6(4-10(13)14)2-1-3-8(7)11-9/h1-3H,4-5H2,(H,11,12)(H,13,14)
InChIKey
QLRIVXOWYWNENI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.12
TPSA
66.4

LogP / Solubility

WLOGP
0.81
MLOGP
0.71
XLogP3
0.1
Consensus LogP
0.54
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
Class (SILICOS-IT)
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)
-3.31

Drug-likeness / Medicinal Chemistry

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

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