CAS RN: 83244-76-2
NAPHTHO(2 1 8-QRA)NAPHTHACENE-7 12-DIONE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250202 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS83244-76-2
- Purity/Analytical Methods: >99.0%
83244-76-2 / hexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1(23),2(11),4,6,8,12,14,16(24),17,19,21-undecaene-3,10-dione
Basic Information
CAS
83244-76-2
Multi CAS
No
Molecular Formula
C24H12O2
Molecular Weight
332.300000
Exact Mass
332.083730
InChI
InChI=1S/C24H12O2/c25-23-16-6-1-2-7-17(16)24(26)22-18-11-10-14-5-3-4-13-8-9-15(12-19(22)23)21(18)20(13)14/h1-12H
InChIKey
VBWXPRANCDKARO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
24
H-bond acceptors
2
Molar refractivity
108.88
TPSA
34.14
LogP / Solubility
WLOGP
5.05
MLOGP
4.46
XLogP3
6
Consensus LogP
5.17
Log S (ESOL)
-5.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.01
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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