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CAS 1190319-56-2 6-Bromo-4-azaindole-3-carboxylic acid molecular structure lightbox
CAS RN: 1190319-56-2

6-Bromo-4-azaindole-3-carboxylic acid

  • Product code: SSC-019411
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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: 0.25g
  • Available purity: ＞97%
  • 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 1190319-56-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Hong Kong Inquiry

1190319-56-2 / 6-bromo-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

6-Bromo-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid | 6-BROMO-4-AZAINDOLE-3-CARBOXYLIC ACID | MFCD12963038

Standard CAS: 1190319-56-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1190319-56-2
Multi CAS
No
Molecular Formula
C8H5BrN2O2
Molecular Weight
241.040000
Exact Mass
239.953440
SMILES
C1=C(C=NC2=C1NC=C2C(=O)O)Br
InChI
InChI=1S/C8H5BrN2O2/c9-4-1-6-7(11-2-4)5(3-10-6)8(12)13/h1-3,10H,(H,12,13)
InChIKey
NYZCINUJMZSSTC-UHFFFAOYSA-N
Synonyms
6-Bromo-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid 6-BROMO-4-AZAINDOLE-3-CARBOXYLIC ACID MFCD12963038 1H-Pyrrolo[3,2-b]pyridine-3-carboxylic acid, 6-bromo- SCHEMBL30267360

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.75
TPSA
65.98

LogP / Solubility

WLOGP
2.02
MLOGP
1.79
XLogP3
1.3
Consensus LogP
1.7
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.75

Drug-likeness / Medicinal Chemistry

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

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