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CAS 1190318-50-3 7-Hydroxy-4-azaindole-3-carboxylic acid molecular structure lightbox
CAS RN: 1190318-50-3

7-Hydroxy-4-azaindole-3-carboxylic acid

  • Product code: SSC-019398
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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 1190318-50-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1190318-50-3 / 7-oxo-1,4-dihydropyrrolo[3,2-b]pyridine-3-carboxylic acid

7-HYDROXY-4-AZAINDOLE-3-CARBOXYLIC ACID | 7-Hydroxy-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid | 1H-Pyrrolo[3,2-b]pyridine-3-carboxylic acid, 7-hydroxy-

Standard CAS: 1190318-50-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1190318-50-3
Multi CAS
No
Molecular Formula
C8H6N2O3
Molecular Weight
178.140000
Exact Mass
178.037842
SMILES
C1=CNC2=C(C1=O)NC=C2C(=O)O
InChI
InChI=1S/C8H6N2O3/c11-5-1-2-9-6-4(8(12)13)3-10-7(5)6/h1-3,10H,(H,9,11)(H,12,13)
InChIKey
HOWGSNWBZFOVAM-UHFFFAOYSA-N
Synonyms
7-HYDROXY-4-AZAINDOLE-3-CARBOXYLIC ACID 7-Hydroxy-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid 1H-Pyrrolo[3,2-b]pyridine-3-carboxylic acid, 7-hydroxy- 7-oxo-1,4-dihydropyrrolo[3,2-b]pyridine-3-carboxylic acid MFCD12963126

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
3
Molar refractivity
45.88
TPSA
85.95

LogP / Solubility

WLOGP
0.55
MLOGP
0.49
XLogP3
0.2
Consensus LogP
0.41
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
Class (SILICOS-IT)
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)
-3.41

Drug-likeness / Medicinal Chemistry

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

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