CAS RN: 25991-27-9
3-CARBOMETHOXY-2-PYRONE
Product Availability
Choose a grade to view its available package options.
10 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250627 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20260405 | 10g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20250920 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20260307 | 25g | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20250619 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20250506 | 5g | In stock | Shanghai, Tianjin | Inquiry |
- Product code: SSC-122797
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, 10g, 25g, 5g
- Available purity: >98%
- Inventory rows with stock: 4
- 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 | >98% | 2 In Stock | Hong Kong | Inquiry |
| 0.25g | >98% | 1 In Stock | Hong Kong | Inquiry |
| 10g | >98% | 1 In Stock | Beijing | Inquiry |
| 25g | >98% | 1 In Stock | Shenzhen | Inquiry |
| 5g | >98% | 0 Out of Stock | Beijing | Inquiry |
25991-27-9 / methyl 2-oxopyran-3-carboxylate
Basic Information
CAS
25991-27-9
Multi CAS
No
Molecular Formula
C7H6O4
Molecular Weight
154.120000
Exact Mass
154.026609
SMILES
COC(=O)C1=CC=COC1=O
InChI
InChI=1S/C7H6O4/c1-10-6(8)5-3-2-4-11-7(5)9/h2-4H,1H3
InChIKey
GJVZWOMUTYNUCE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
36.32
TPSA
56.51
LogP / Solubility
WLOGP
0.43
MLOGP
0.37
XLogP3
0.8
Consensus LogP
0.53
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-1.13
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.14
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)
-3.36
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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