Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.25g, 5g, 10g, 25g
- Available purity: ≥97%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥97% | 3 In Stock | Beijing | Inquiry |
| 0.25g | ≥97% | 1 In Stock | Hong Kong | Inquiry |
| 5g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
| 10g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
| 25g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
4792-30-7 / 4-methyl-2-benzofuran-1,3-dione
Basic Information
CAS
4792-30-7
Multi CAS
Yes
Molecular Formula
C9H6O3
Molecular Weight
162.140000
Exact Mass
162.031694
InChI
InChI=1S/C9H6O3/c1-5-3-2-4-6-7(5)9(11)12-8(6)10/h2-4H,1H3
InChIKey
TWWAWPHAOPTQEU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.11
H-bond acceptors
3
Molar refractivity
40.93
TPSA
43.37
LogP / Solubility
WLOGP
1.31
MLOGP
1.14
XLogP3
1.7
Consensus LogP
1.38
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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