CAS RN: 1393726-72-1
8,8-Difluoro-5,6,7,8-Tetrahydro-1,6-Naphthyridine-5,7-Dione
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.20260104 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1393726-72-1
- Purity/Analytical Methods: >99.0%
1393726-72-1 / 8,8-difluoro-1,6-naphthyridine-5,7-dione
Basic Information
CAS
1393726-72-1
Multi CAS
No
Molecular Formula
C8H4F2N2O2
Molecular Weight
198.130000
Exact Mass
198.024084
SMILES
C1=CC2=C(C(C(=O)NC2=O)(F)F)N=C1
InChI
InChI=1S/C8H4F2N2O2/c9-8(10)5-4(2-1-3-11-5)6(13)12-7(8)14/h1-3H,(H,12,13,14)
InChIKey
YBIJKYHTXXIZLR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.6
TPSA
59.06
LogP / Solubility
WLOGP
0.44
MLOGP
0.39
XLogP3
0.4
Consensus LogP
0.41
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.32
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)
-3.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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