![CAS 139183-98-5 5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRIDINE-6-CARBOXYLIC ACID METHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/139183-98-5.gif)
CAS RN: 139183-98-5
5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRIDINE-6-CARBOXYLIC ACID METHYL ESTER
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.20250524 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS139183-98-5
- Purity/Analytical Methods: >99.0%
139183-98-5 / methyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylate
Basic Information
CAS
139183-98-5
Multi CAS
No
Molecular Formula
C9H12N2O2
Molecular Weight
180.200000
Exact Mass
180.089878
SMILES
COC(=O)C1CCC2=NC=CN2C1
InChI
InChI=1S/C9H12N2O2/c1-13-9(12)7-2-3-8-10-4-5-11(8)6-7/h4-5,7H,2-3,6H2,1H3
InChIKey
CGQWLRYEFCJWMN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
46.05
TPSA
44.12
LogP / Solubility
WLOGP
0.62
MLOGP
0.54
XLogP3
0.2
Consensus LogP
0.45
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.46
Class (SILICOS-IT)
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)
-3.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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