![CAS 1402911-36-7 methyl 5-chloroH-imidazo[1,2-a]pyridine-8-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1402911-36-7.gif)
CAS RN: 1402911-36-7
methyl 5-chloroH-imidazo[1,2-a]pyridine-8-carboxylate
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.20260217 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1402911-36-7
- Purity/Analytical Methods: >99.0%
1402911-36-7 / methyl 5-chloroimidazo[1,2-a]pyridine-8-carboxylate
Basic Information
CAS
1402911-36-7
Multi CAS
No
Molecular Formula
C9H7ClN2O2
Molecular Weight
210.620000
Exact Mass
210.019605
SMILES
COC(=O)C1=CC=C(N2C1=NC=C2)Cl
InChI
InChI=1S/C9H7ClN2O2/c1-14-9(13)6-2-3-7(10)12-5-4-11-8(6)12/h2-5H,1H3
InChIKey
DMIMPNDUQAKQAW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
51.54
TPSA
43.6
LogP / Solubility
WLOGP
1.77
MLOGP
1.56
XLogP3
2.6
Consensus LogP
1.98
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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