![CAS 1036991-04-4 IMidazo[1,2-a]pyridine, 6-iodo-7-Methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1036991-04-4.gif)
CAS RN: 1036991-04-4
IMidazo[1,2-a]pyridine, 6-iodo-7-Methyl-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260107 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1036991-04-4
- Purity/Analytical Methods: >99.0%
1036991-04-4 / 6-iodo-7-methylimidazo[1,2-a]pyridine
6-Iodo-7-methylimidazo[1,2-a]pyridine | 6-Iodo-7-methyl-imidazo[1,2-a]pyridine | SCHEMBL3323254
Basic Information
CAS
1036991-04-4
Multi CAS
No
Molecular Formula
C8H7IN2
Molecular Weight
258.060000
Exact Mass
257.965400
SMILES
CC1=CC2=NC=CN2C=C1I
InChI
InChI=1S/C8H7IN2/c1-6-4-8-10-2-3-11(8)5-7(6)9/h2-5H,1H3
InChIKey
YMOGVXPCGRRCAU-UHFFFAOYSA-N
Synonyms
6-Iodo-7-methylimidazo[1,2-a]pyridine
6-Iodo-7-methyl-imidazo[1,2-a]pyridine
SCHEMBL3323254
DTXSID50731519
CS-0445976
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
52.65
TPSA
17.3
LogP / Solubility
WLOGP
2.25
MLOGP
1.98
XLogP3
2.8
Consensus LogP
2.34
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
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)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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