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CAS 79473-06-6 6-Nitroindole-3-acetic Acid molecular structure lightbox
CAS RN: 79473-06-6

6-Nitroindole-3-acetic Acid

  • Product code: SSC-188639
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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 79473-06-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

79473-06-6 / 2-(6-nitro-1H-indol-3-yl)acetic acid

Standard CAS: 79473-06-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
79473-06-6
Multi CAS
No
Molecular Formula
C10H8N2O4
Molecular Weight
220.180000
Exact Mass
220.048407
InChI
InChI=1S/C10H8N2O4/c13-10(14)3-6-5-11-9-4-7(12(15)16)1-2-8(6)9/h1-2,4-5,11H,3H2,(H,13,14)
InChIKey
UWIIUZCZYMXUQP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
56.29
TPSA
96.23

LogP / Solubility

WLOGP
1.7
MLOGP
1.5
XLogP3
1.2
Consensus LogP
1.47
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
Class (SILICOS-IT)
Moderately 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)
-2.85

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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