![CAS 1000017-98-0 8-Bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1000017-98-0.gif)
CAS RN: 1000017-98-0
8-Bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251226 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1000017-98-0
- Purity/Analytical Methods: >99.0%
1000017-98-0 / 8-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid
1000017-98-0 | 8-Bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid | MFCD09836172
Basic Information
CAS
1000017-98-0
Multi CAS
No
Molecular Formula
C8H4BrClN2O2
Molecular Weight
275.480000
Exact Mass
273.914470
SMILES
C1=C(C2=NC(=CN2C=C1Cl)C(=O)O)Br
InChI
InChI=1S/C8H4BrClN2O2/c9-5-1-4(10)2-12-3-6(8(13)14)11-7(5)12/h1-3H,(H,13,14)
InChIKey
MVFTVGMWGOEQDV-UHFFFAOYSA-N
Synonyms
1000017-98-0
8-Bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid
MFCD09836172
Imidazo[1,2-a]pyridine-2-carboxylic acid, 8-bromo-6-chloro-
8-Bromo-6-chloro-imidazo[1,2-a]pyridine-2-carboxylic acid
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.86
TPSA
54.6
LogP / Solubility
WLOGP
2.45
MLOGP
2.16
XLogP3
2.9
Consensus LogP
2.5
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
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)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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