![CAS 333717-40-1 O-[(Ethoxycarbonyl)cyanomethylenamino]-N,N,N’,N’-tetramethyluronium Hexafluorophosphate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/e1306-jpgcontextbwfzdgvyfhjvb3r8mza0otf8aw1hz2uvanblz3xoytkvadk0lzg5mza1ody0njaxotavrtezmdyuanbnfdy4yzawzwjlodrkowfhngiznmywnzqynjy2odjkmtrjotezzddmyzq4otvlmzk0otk0nwuwzmy5mty1y2m5ntc.jpeg)
CAS RN: 333717-40-1
O-[(Ethoxycarbonyl)cyanomethylenamino]-N,N,N’,N’-tetramethyluronium Hexafluorophosphate
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250227 | 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-139402
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: 5g, 25g, 1g, 10g
- Available purity: >97%
- Inventory rows with stock: 3
- 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.
333717-40-1 / [[(E)-(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-(dimethylamino)methylidene]-dimethylazanium hexafluorophosphate
Basic Information
CAS
333717-40-1
Multi CAS
Yes
Molecular Formula
C10F6H17N4O3P
Molecular Weight
386.230000
Exact Mass
386.094246
InChI
InChI=1S/C10H17N4O3.F6P/c1-6-16-9(15)8(7-11)12-17-10(13(2)3)14(4)5;1-7(2,3,4,5)6/h6H2,1-5H3;/q+1;-1/b12-8+;
InChIKey
RKTBAMPZUATMIO-MXZHIVQLSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
75.14
TPSA
77.93
LogP / Solubility
WLOGP
3.02
MLOGP
2.68
XLogP3
3.02
Consensus LogP
2.91
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.04
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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