![CAS 1123169-61-8 1,4-Dihydro-2H-[2,7]naphthyridin-3-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1123169-61-8.gif)
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1123169-61-8 / 2,4-dihydro-1H-2,7-naphthyridin-3-one
1,2-DIHYDRO-2,7-NAPHTHYRIDIN-3(4H)-ONE | 1,4-DIHYDRO-2H-[2,7]NAPHTHYRIDIN-3-ONE | MFCD11858431
Basic Information
CAS
1123169-61-8
Multi CAS
No
Molecular Formula
C8H8N2O
Molecular Weight
148.160000
Exact Mass
148.063663
SMILES
C1C2=C(CNC1=O)C=NC=C2
InChI
InChI=1S/C8H8N2O/c11-8-3-6-1-2-9-4-7(6)5-10-8/h1-2,4H,3,5H2,(H,10,11)
InChIKey
VGOUMPFNOBORQC-UHFFFAOYSA-N
Synonyms
1,2-DIHYDRO-2,7-NAPHTHYRIDIN-3(4H)-ONE
1,4-DIHYDRO-2H-[2,7]NAPHTHYRIDIN-3-ONE
MFCD11858431
2,4-DIHYDRO-1H-2,7-NAPHTHYRIDIN-3-ONE
SCHEMBL17376995
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.79
TPSA
41.99
LogP / Solubility
WLOGP
0.25
MLOGP
0.22
XLogP3
-0.4
Consensus LogP
0.02
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.83
Class (SILICOS-IT)
Very 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)
-3.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
