CAS RN: 153433-21-7
pyoxime
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250624 | 100g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry | |
| Batchno.20260221 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry | |
| Batchno.20250912 | 1kg | In stock | Shanghai | Inquiry | |
| Batchno.20251112 | 25g | In stock | Shanghai, Tianjin, Chengdu | Inquiry | |
| Batchno.20250712 | 500g | In stock | Shanghai | Inquiry | |
| Batchno.20250423 | 5g | In stock | Shanghai, Tianjin | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250113 | 10g / 25g / 100g / 500g | Confirm by inquiry | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250608 | 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-062872
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, 5g, 10g, 25g
- Available purity: ≥97%
- 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.
153433-21-7 / [(E)-(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-tripyrrolidin-1-ylphosphanium hexafluorophosphate
Basic Information
CAS
153433-21-7
Multi CAS
No
Molecular Formula
C17H29F6N5O3P2
Molecular Weight
527.400000
Exact Mass
527.164983
SMILES
CCOC(=O)/C(=N/O[P+](N1CCCC1)(N2CCCC2)N3CCCC3)/C#N.F[P-](F)(F)(F)(F)F
InChI
InChI=1S/C17H29N5O3P.F6P/c1-2-24-17(23)16(15-18)19-25-26(20-9-3-4-10-20,21-11-5-6-12-21)22-13-7-8-14-22;1-7(2,3,4,5)6/h2-14H2,1H3;/q+1;-1/b19-16+;
InChIKey
RDWDVLFMPFUBDV-PXMDEAMVSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Fraction Csp3
0.82
Rotatable bonds
7
H-bond acceptors
8
Molar refractivity
113.68
TPSA
81.4
LogP / Solubility
WLOGP
5.79
MLOGP
5.14
XLogP3
5.79
Consensus LogP
5.57
Log S (ESOL)
-6.3
Class (ESOL)
Insoluble
Log S (Ali)
-8.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.74
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.82
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
