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CAS 117888-98-9 6-BROMO-3H-IMIDAZO[4,5-B]PYRIDINE-7-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 117888-98-9

6-BROMO-3H-IMIDAZO[4,5-B]PYRIDINE-7-CARBOXYLIC ACID

  • Product code: SSC-017714
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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 117888-98-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

117888-98-9 / 6-bromo-1H-imidazo[4,5-b]pyridine-7-carboxylic acid

6-BROMO-3H-IMIDAZO[4,5-B]PYRIDINE-7-CARBOXYLIC ACID | 6-bromo-1H-imidazo[4,5-b]pyridine-7-carboxylic acid | MFCD04971952

Standard CAS: 117888-98-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
117888-98-9
Multi CAS
No
Molecular Formula
C7H4BrN3O2
Molecular Weight
242.030000
Exact Mass
240.948690
SMILES
C1=C(C(=C2C(=N1)N=CN2)C(=O)O)Br
InChI
InChI=1S/C7H4BrN3O2/c8-3-1-9-6-5(10-2-11-6)4(3)7(12)13/h1-2H,(H,12,13)(H,9,10,11)
InChIKey
FMUPBLXDBFTANV-UHFFFAOYSA-N
Synonyms
6-BROMO-3H-IMIDAZO[4,5-B]PYRIDINE-7-CARBOXYLIC ACID 6-bromo-1H-imidazo[4,5-b]pyridine-7-carboxylic acid MFCD04971952 3H-Imidazo[4,5-b]pyridine-7-carboxylic acid, 6-bromo-OTHER CA INDEX NAMES:1H-Imidazo[4,5-b]pyridine-7-carboxylic acid, 6-bromo- F1926-0038

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.55
TPSA
78.87

LogP / Solubility

WLOGP
1.42
MLOGP
1.25
XLogP3
1
Consensus LogP
1.22
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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)
-3.19

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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