![CAS 832741-10-3 4-BENZO[1,3]DIOXOL-5-YL-2,4-DIOXO-BUTYRIC ACID METHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB3718104.gif)
CAS RN: 832741-10-3
4-BENZO[1,3]DIOXOL-5-YL-2,4-DIOXO-BUTYRIC ACID METHYL ESTER
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250320 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-191181
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
832741-10-3 / methyl 4-(1,3-benzodioxol-5-yl)-2,4-dioxobutanoate
Basic Information
CAS
832741-10-3
Multi CAS
Yes
Molecular Formula
C12H10O6
Molecular Weight
250.200000
Exact Mass
250.047738
InChI
InChI=1S/C12H10O6/c1-16-12(15)9(14)5-8(13)7-2-3-10-11(4-7)18-6-17-10/h2-4H,5-6H2,1H3
InChIKey
PIOJWDDCFUZORX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
58.54
TPSA
78.9
LogP / Solubility
WLOGP
0.73
MLOGP
0.65
XLogP3
1.3
Consensus LogP
0.89
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
Class (SILICOS-IT)
Moderately 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)
-3.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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