CAS RN: 52816-63-4
3-ACETYL-1,6-NAPHTHYRIDIN-2(1H)-ONE
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.20250419 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS52816-63-4
- Purity/Analytical Methods: >99.0%
52816-63-4 / 3-acetyl-1H-1,6-naphthyridin-2-one
Basic Information
CAS
52816-63-4
Multi CAS
Yes
Molecular Formula
C10H8N2O2
Molecular Weight
188.180000
Exact Mass
188.058578
InChI
InChI=1S/C10H8N2O2/c1-6(13)8-4-7-5-11-3-2-9(7)12-10(8)14/h2-5H,1H3,(H,12,14)
InChIKey
KFVXSMTUTDPPFM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.37
TPSA
62.82
LogP / Solubility
WLOGP
1.13
MLOGP
0.99
XLogP3
0.2
Consensus LogP
0.77
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
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)
-3.07
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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- Product Code: starshine_CAS52829-91-1
- Purity/Analytical method: >99.0%
