CAS RN: 65240-86-0
2-BENZOYLAMINO-1,4-NAPHTHOQUINONE
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.20250115 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS65240-86-0
- Purity/Analytical Methods: >99.0%
65240-86-0 / N-(1,4-dioxonaphthalen-2-yl)benzamide
Basic Information
CAS
65240-86-0
Multi CAS
Yes
Molecular Formula
C17H11NO3
Molecular Weight
277.270000
Exact Mass
277.073893
InChI
InChI=1S/C17H11NO3/c19-15-10-14(16(20)13-9-5-4-8-12(13)15)18-17(21)11-6-2-1-3-7-11/h1-10H,(H,18,21)
InChIKey
BIVQBWSIGJFXLF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
77.09
TPSA
63.24
LogP / Solubility
WLOGP
2.38
MLOGP
2.1
XLogP3
2.9
Consensus LogP
2.46
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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