![CAS 55243-17-9 3-oxo-2,3,5,6,7,8-hexahydroiMidazo[1,5-a]pyridine-1-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/55243-17-9.gif)
CAS RN: 55243-17-9
3-oxo-2,3,5,6,7,8-hexahydroiMidazo[1,5-a]pyridine-1-carboxylic acid
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.20251105 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS55243-17-9
- Purity/Analytical Methods: >99.0%
55243-17-9 / 3-oxo-5,6,7,8-tetrahydro-2H-imidazo[1,5-a]pyridine-1-carboxylic acid
Basic Information
CAS
55243-17-9
Multi CAS
Yes
Molecular Formula
C8H10N2O3
Molecular Weight
182.180000
Exact Mass
182.069142
InChI
InChI=1S/C8H10N2O3/c11-7(12)6-5-3-1-2-4-10(5)8(13)9-6/h1-4H2,(H,9,13)(H,11,12)
InChIKey
WQDGNPHAMHPJHK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
44.95
TPSA
75.09
LogP / Solubility
WLOGP
0.21
MLOGP
0.18
XLogP3
-0.2
Consensus LogP
0.06
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.14
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)
-3.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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