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CAS 1190314-06-7 4-Methoxycarbonyl-7-azaindole-3-carbaldehyde molecular structure lightbox
CAS RN: 1190314-06-7

4-Methoxycarbonyl-7-azaindole-3-carbaldehyde

  • Product code: SSC-019348
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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: >96%
  • 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 1190314-06-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >96% 2 In Stock Shenzhen Inquiry
0.25g >96% 2 In Stock Shenzhen Inquiry
1g >96% 2 In Stock Hong Kong Inquiry

1190314-06-7 / methyl 3-formyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylate

methyl 3-formyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylate | MFCD12962696 | 1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 3-formyl-, methyl ester

Standard CAS: 1190314-06-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1190314-06-7
Multi CAS
No
Molecular Formula
C10H8N2O3
Molecular Weight
204.180000
Exact Mass
204.053492
SMILES
COC(=O)C1=C2C(=CNC2=NC=C1)C=O
InChI
InChI=1S/C10H8N2O3/c1-15-10(14)7-2-3-11-9-8(7)6(5-13)4-12-9/h2-5H,1H3,(H,11,12)
InChIKey
YSNAXVDKFQCDET-UHFFFAOYSA-N
Synonyms
methyl 3-formyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylate MFCD12962696 1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 3-formyl-, methyl ester SCHEMBL1951472 SCHEMBL29954463

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.82
TPSA
72.05

LogP / Solubility

WLOGP
1.16
MLOGP
1.02
XLogP3
0.6
Consensus LogP
0.93
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.14

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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