![CAS 885276-87-9 3-BENZYL-IMIDAZO[1,5-A]PYRIDINE-1-CARBOXYLIC ACID ETHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/885276-87-9.gif)
CAS RN: 885276-87-9
3-BENZYL-IMIDAZO[1,5-A]PYRIDINE-1-CARBOXYLIC ACID ETHYL 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.20250716 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS885276-87-9
- Purity/Analytical Methods: >99.0%
885276-87-9 / ethyl 3-benzylimidazo[1,5-a]pyridine-1-carboxylate
Basic Information
CAS
885276-87-9
Multi CAS
No
Molecular Formula
C17H16N2O2
Molecular Weight
280.320000
Exact Mass
280.121178
InChI
InChI=1S/C17H16N2O2/c1-2-21-17(20)16-14-10-6-7-11-19(14)15(18-16)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKey
VKBRXEXZCZPHTL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
80.4
TPSA
43.6
LogP / Solubility
WLOGP
3.1
MLOGP
2.74
XLogP3
4.4
Consensus LogP
3.41
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
Class (SILICOS-IT)
Slightly 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)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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