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CAS 143798-10-1 1H-Indole, 3-ethyl-5-nitro- molecular structure lightbox
CAS RN: 143798-10-1

1H-Indole, 3-ethyl-5-nitro-

  • Product code: SSC-055112
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 143798-10-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry
1g ≥95% 1 In Stock Beijing Inquiry

143798-10-1 / 3-ethyl-5-nitro-1H-indole

Standard CAS: 143798-10-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
143798-10-1
Multi CAS
No
Molecular Formula
C10H10N2O2
Molecular Weight
190.200000
Exact Mass
190.074228
SMILES
CCC1=CNC2=C1C=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H10N2O2/c1-2-7-6-11-10-4-3-8(12(13)14)5-9(7)10/h3-6,11H,2H2,1H3
InChIKey
ZIRWJKIUEPRDEK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.33
TPSA
58.93

LogP / Solubility

WLOGP
2.64
MLOGP
2.32
XLogP3
1.9
Consensus LogP
2.29
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.01

Drug-likeness / Medicinal Chemistry

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

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