CAS RN: 5437-67-2
Dimethyl nitromalonate
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.20251117 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-162014
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ＞95% | 0 Out of Stock | Beijing | Inquiry |
5437-67-2 / dimethyl 2-nitropropanedioate
Basic Information
CAS
5437-67-2
Multi CAS
Yes
Molecular Formula
C5H7NO6
Molecular Weight
177.110000
Exact Mass
177.027337
InChI
InChI=1S/C5H7NO6/c1-11-4(7)3(6(9)10)5(8)12-2/h3H,1-2H3
InChIKey
GLKRAUOJZYHDSB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
34.81
TPSA
95.74
LogP / Solubility
WLOGP
-1.02
MLOGP
-0.9
XLogP3
0.2
Consensus LogP
-0.57
Log S (ESOL)
-0.1
Class (ESOL)
Very soluble
Log S (Ali)
-0.27
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.32
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.53
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
![CAS 5438-51-7 [4-(cyanomethyl)-2-methoxy-phenyl] acetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5438-51-7.gif)
