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CAS 25369-41-9 Ethyl 2-oxoindoline-7-carboxylate molecular structure lightbox
CAS RN: 25369-41-9

Ethyl 2-oxoindoline-7-carboxylate

  • Product code: SSC-121280
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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 25369-41-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

25369-41-9 / ethyl 2-oxo-1,3-dihydroindole-7-carboxylate

Standard CAS: 25369-41-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25369-41-9
Multi CAS
No
Molecular Formula
C11H11NO3
Molecular Weight
205.210000
Exact Mass
205.073893
SMILES
CCOC(=O)C1=CC=CC2=C1NC(=O)C2
InChI
InChI=1S/C11H11NO3/c1-2-15-11(14)8-5-3-4-7-6-9(13)12-10(7)8/h3-5H,2,6H2,1H3,(H,12,13)
InChIKey
HONYVPVJQHKTHE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.73
TPSA
55.4

LogP / Solubility

WLOGP
1.36
MLOGP
1.2
XLogP3
1
Consensus LogP
1.19
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
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)
-3.01

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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