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CAS 6953-39-5 1H-Indole-3-aceticacid, 5-nitro-a-oxo- molecular structure lightbox
CAS RN: 6953-39-5

1H-Indole-3-aceticacid, 5-nitro-a-oxo-

  • Product code: SSC-179240
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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, 5g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • 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 6953-39-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Hong Kong Inquiry
0.25g ≥95% 5 In Stock Beijing Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
5g ≥95% 5 In Stock Hong Kong Inquiry
10g ≥95% 5 In Stock Shenzhen Inquiry

6953-39-5 / 2-(5-nitro-1H-indol-3-yl)-2-oxoacetic acid

Standard CAS: 6953-39-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6953-39-5
Multi CAS
Yes
Molecular Formula
C10H6N2O5
Molecular Weight
234.160000
Exact Mass
234.027671
InChI
InChI=1S/C10H6N2O5/c13-9(10(14)15)7-4-11-8-2-1-5(12(16)17)3-6(7)8/h1-4,11H,(H,14,15)
InChIKey
VIQQDHUBXJPCEJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
56.92
TPSA
113.3

LogP / Solubility

WLOGP
1.34
MLOGP
1.19
XLogP3
1.3
Consensus LogP
1.28
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19

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
1.5

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