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: 10g, 5g, 1g, 25g, 100g
- Available purity: ≥97%
- Inventory rows with stock: 8
- 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 |
|---|---|---|---|---|
| 10g | -- | 5 In Stock | Shanghai | Inquiry |
| 10g | ≥97% | 5 In Stock | Hong Kong | Inquiry |
| 5g | -- | 4 In Stock | Hong Kong | Inquiry |
| 5g | ≥97% | 4 In Stock | Hong Kong | Inquiry |
| 1g | -- | 2 In Stock | Hong Kong | Inquiry |
| 1g | ≥97% | 2 In Stock | Shenzhen | Inquiry |
| 25g | -- | 1 In Stock | Shenzhen | Inquiry |
| 25g | ≥97% | 1 In Stock | Hong Kong | Inquiry |
| 100g | -- | 0 Out of Stock | Beijing | Inquiry |
| 100g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
22398-14-7 / dimethyl 2-(methoxymethylidene)propanedioate
Basic Information
CAS
22398-14-7
Multi CAS
No
Molecular Formula
C7H10O5
Molecular Weight
174.150000
Exact Mass
174.052823
SMILES
COC=C(C(=O)OC)C(=O)OC
InChI
InChI=1S/C7H10O5/c1-10-4-5(6(8)11-2)7(9)12-3/h4H,1-3H3
InChIKey
RHFZTBSULNJWEI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
39.12
TPSA
61.83
LogP / Solubility
WLOGP
-0.14
MLOGP
-0.12
XLogP3
0.4
Consensus LogP
0.05
Log S (ESOL)
-0.64
Class (ESOL)
Very soluble
Log S (Ali)
-0.89
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.04
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)
-3.88
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
