Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
50662-95-8 / 4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione
Basic Information
CAS
50662-95-8
Multi CAS
No
Molecular Formula
C16H6O7
Molecular Weight
310.210000
Exact Mass
310.011353
InChI
InChI=1S/C16H6O7/c17-13-8-5-4-7(6-10(8)15(19)22-13)21-11-3-1-2-9-12(11)16(20)23-14(9)18/h1-6H
InChIKey
OPVHOFITDJSMOD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
7
Molar refractivity
72.45
TPSA
95.97
LogP / Solubility
WLOGP
2.1
MLOGP
1.86
XLogP3
2.2
Consensus LogP
2.05
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
Class (SILICOS-IT)
Poorly 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)
-3.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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![CAS 738-90-9 Tricyclo[6.4.0.02,7]dodecane-1,8:2,7-tetracarboxylic Dianhydride molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t2698-jpgcontextbwfzdgvyfhjvb3r8ndq1nzh8aw1hz2uvanblz3xoztkvagi1lzg5mzi2mzkyndqzmtgvvdi2otguanbnfgfknjy3zjm5yjgxztfmyzg2zmixnzhjn2i5yjvjotu1odnmzwq3odvjnwu4ymy2zdnkngywytvmmjrknwrhzdk.jpeg)
