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CAS 91974-32-2 Ethyl 2-(6-Nitro-3-indolyl)-2-oxoacetate molecular structure lightbox
CAS RN: 91974-32-2

Ethyl 2-(6-Nitro-3-indolyl)-2-oxoacetate

  • Product code: SSC-205479
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥97%
  • 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 91974-32-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 0 Out of Stock Hong Kong Inquiry
0.25g ≥97% 0 Out of Stock Hong Kong Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry

91974-32-2 / ethyl 2-(6-nitro-1H-indol-3-yl)-2-oxoacetate

Standard CAS: 91974-32-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
91974-32-2
Multi CAS
No
Molecular Formula
C12H10N2O5
Molecular Weight
262.220000
Exact Mass
262.058971
InChI
InChI=1S/C12H10N2O5/c1-2-19-12(16)11(15)9-6-13-10-5-7(14(17)18)3-4-8(9)10/h3-6,13H,2H2,1H3
InChIKey
WBUKNGHHRBTHAF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
65.92
TPSA
102.3

LogP / Solubility

WLOGP
1.82
MLOGP
1.61
XLogP3
2
Consensus LogP
1.81
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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