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CAS 21905-78-2 N-ACETYLOXINDOLE 97 molecular structure lightbox
CAS RN: 21905-78-2

N-ACETYLOXINDOLE 97

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250512 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-105450
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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 21905-78-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

21905-78-2 / 1-acetyl-3H-indol-2-one

Standard CAS: 21905-78-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21905-78-2
Multi CAS
No
Molecular Formula
C10H9NO2
Molecular Weight
175.180000
Exact Mass
175.063329
SMILES
CC(=O)N1C(=O)CC2=CC=CC=C21
InChI
InChI=1S/C10H9NO2/c1-7(12)11-9-5-3-2-4-8(9)6-10(11)13/h2-5H,6H2,1H3
InChIKey
NRWLXCRLJQEJHE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
2
Molar refractivity
48.31
TPSA
37.38

LogP / Solubility

WLOGP
1.12
MLOGP
0.98
XLogP3
0.7
Consensus LogP
0.93
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
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)
-2.99

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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