CAS RN: 869640-41-5
5,6,7,8-TETRAHYDRO-7-(PHENYLMETHYL)-1,7-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.20260430 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS869640-41-5
- Purity/Analytical Methods: >99.0%
869640-41-5 / 7-benzyl-1,5,6,8-tetrahydro-1,7-naphthyridin-2-one
Basic Information
CAS
869640-41-5
Multi CAS
Yes
Molecular Formula
C15H16N2O
Molecular Weight
240.300000
Exact Mass
240.126263
InChI
InChI=1S/C15H16N2O/c18-15-7-6-13-8-9-17(11-14(13)16-15)10-12-4-2-1-3-5-12/h1-7H,8-11H2,(H,16,18)
InChIKey
IAXZYZLBSPZMGH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.32
TPSA
36.1
LogP / Solubility
WLOGP
1.93
MLOGP
1.71
XLogP3
1.1
Consensus LogP
1.58
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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