CAS RN: 4741-62-2
5-Methoxy-1(3h)-isobenzofuranone
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.20250727 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-154351
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: 0.1g, 0.25g, 1g, 5g, 10g
- Available purity: ≥97%
- Inventory rows with stock: 5
- 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 |
|---|---|---|---|---|
| 0.1g | ≥97% | 5 In Stock | Beijing | Inquiry |
| 0.25g | ≥97% | 5 In Stock | Hong Kong | Inquiry |
| 1g | ≥97% | 5 In Stock | Hong Kong | Inquiry |
| 5g | ≥97% | 5 In Stock | Shenzhen | Inquiry |
| 10g | ≥97% | 3 In Stock | Shenzhen | Inquiry |
4741-62-2 / 5-methoxy-3H-2-benzofuran-1-one
Basic Information
CAS
4741-62-2
Multi CAS
No
Molecular Formula
C9H8O3
Molecular Weight
164.160000
Exact Mass
164.047344
InChI
InChI=1S/C9H8O3/c1-11-7-2-3-8-6(4-7)5-12-9(8)10/h2-4H,5H2,1H3
InChIKey
KLMRELXLQGRFDO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
42.11
TPSA
35.53
LogP / Solubility
WLOGP
1.37
MLOGP
1.2
XLogP3
0.8
Consensus LogP
1.12
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
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)
-2.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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