CAS RN: 1797660-05-9
2-Acridinecarboxylic acid, 7-fluoro-9,10-dihydro-9-oxo-
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.20250516 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1797660-05-9
- Purity/Analytical Methods: >99.0%
1797660-05-9 / 7-fluoro-9-oxo-10H-acridine-2-carboxylic acid
Basic Information
CAS
1797660-05-9
Multi CAS
No
Molecular Formula
C14H8FNO3
Molecular Weight
257.220000
Exact Mass
257.048821
SMILES
C1=CC2=C(C=C1C(=O)O)C(=O)C3=C(N2)C=CC(=C3)F
InChI
InChI=1S/C14H8FNO3/c15-8-2-4-12-10(6-8)13(17)9-5-7(14(18)19)1-3-11(9)16-12/h1-6H,(H,16,17)(H,18,19)
InChIKey
DOLVQIHRMFIVKS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
68.99
TPSA
70.16
LogP / Solubility
WLOGP
2.52
MLOGP
2.22
XLogP3
2.6
Consensus LogP
2.45
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
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)
-2.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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