CAS RN: 219775-95-8
1,8-Naphthyridin-2(1H)-one, 4-hydroxy-1-(phenylMethyl)-
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.20260403 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS219775-95-8
- Purity/Analytical Methods: >99.0%
219775-95-8 / 1-benzyl-4-hydroxy-1,8-naphthyridin-2-one
Basic Information
CAS
219775-95-8
Multi CAS
No
Molecular Formula
C15H12N2O2
Molecular Weight
252.270000
Exact Mass
252.089878
SMILES
C1=CC=C(C=C1)CN2C(=O)C=C(C3=C2N=CC=C3)O
InChI
InChI=1S/C15H12N2O2/c18-13-9-14(19)17(10-11-5-2-1-3-6-11)15-12(13)7-4-8-16-15/h1-9,18H,10H2
InChIKey
KFCZWBBIGIUNJZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
16
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
73.21
TPSA
55.12
LogP / Solubility
WLOGP
2.15
MLOGP
1.9
XLogP3
1.6
Consensus LogP
1.88
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly 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)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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