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CAS 6742-25-2 Ethyl 1-Oxo-2,3-Dihydro-1H-Indene-2-Carboxylate molecular structure lightbox
CAS RN: 6742-25-2

Ethyl 1-Oxo-2,3-Dihydro-1H-Indene-2-Carboxylate

  • Product code: SSC-177105
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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 6742-25-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

6742-25-2 / ethyl 3-oxo-1,2-dihydroindene-2-carboxylate

Standard CAS: 6742-25-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6742-25-2
Multi CAS
No
Molecular Formula
C12H12O3
Molecular Weight
204.220000
Exact Mass
204.078644
InChI
InChI=1S/C12H12O3/c1-2-15-12(14)10-7-8-5-3-4-6-9(8)11(10)13/h3-6,10H,2,7H2,1H3
InChIKey
CRUSDTXUTKVYLW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
54.6
TPSA
43.37

LogP / Solubility

WLOGP
1.6
MLOGP
1.41
XLogP3
2.2
Consensus LogP
1.74
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-2.83

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
2

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