CAS RN: 324077-62-5
ZSET-845
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 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS324077-62-5
- Purity/Analytical Methods: >99.0%
324077-62-5 / 3,3-dibenzylimidazo[1,2-a]pyridin-2-one
Basic Information
CAS
324077-62-5
Multi CAS
No
Molecular Formula
C21H18N2O
Molecular Weight
314.400000
Exact Mass
314.141913
InChI
InChI=1S/C21H18N2O/c24-20-21(15-17-9-3-1-4-10-17,16-18-11-5-2-6-12-18)23-14-8-7-13-19(23)22-20/h1-14H,15-16H2
InChIKey
AGKKYNURMHHCFP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
95.58
TPSA
32.67
LogP / Solubility
WLOGP
3.53
MLOGP
3.12
XLogP3
3.8
Consensus LogP
3.48
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.12
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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