CAS RN: 6051-87-2
β-Naphthoflavone
Product Availability
Choose a grade to view its available package options.
9 package records5 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260602 | 200mg / 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong, Chongqing, Hebei | Inquiry |
- Product code: ICTN0518
- Purity/Analytical Methods: >99.0%(GC)
6051-87-2 / 3-phenylbenzo[f]chromen-1-one
Basic Information
CAS
6051-87-2
Multi CAS
Yes
Molecular Formula
C19H12O2
Molecular Weight
272.300000
Exact Mass
272.083730
InChI
InChI=1S/C19H12O2/c20-16-12-18(14-7-2-1-3-8-14)21-17-11-10-13-6-4-5-9-15(13)19(16)17/h1-12H
InChIKey
OUGIDAPQYNCXRA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
20
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
85.43
TPSA
30.21
LogP / Solubility
WLOGP
4.61
MLOGP
4.07
XLogP3
4.4
Consensus LogP
4.36
Log S (ESOL)
-5.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.38
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
