CAS RN: 330645-87-9
O-(6-Chlorobenzotriazol-1-yl)-N,N,N’,N’-tetramethyluronium Hexafluorophosphate
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250215 | 100g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20251027 | 10g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250608 | 1kg | In stock | Shanghai | Inquiry |
| Batchno.20250127 | 25g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20250711 | 500g | In stock | Shanghai, Wuhan | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260412 | 5g / 25g / 100g / 500g / 2.5kg | Confirm by inquiry | Shandong, Guangdong, Shanghai, Hebei, Chongqing | Inquiry |
- Product code: SSC-138903
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, 10g, 25g, 100g, 500g, 1000g
- Available purity: >97%
- 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 |
|---|---|---|---|---|
| 5g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 10g | >97% | 5 In Stock | Beijing | Inquiry |
| 25g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 100g | >97% | 5 In Stock | Shanghai | Inquiry |
| 500g | >97% | 0 Out of Stock | Beijing | Inquiry |
| 1000g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
330645-87-9 / [(6-chlorobenzotriazol-1-yl)oxy-(dimethylamino)methylidene]-dimethylazanium;pentafluoro-lambda5-phosphane;fluoride
Basic Information
CAS
330645-87-9
Multi CAS
Yes
Molecular Formula
C11H15CLF6N5OP
Molecular Weight
413.690000
Exact Mass
413.060694
InChI
InChI=1S/C11H15ClN5O.F5P.FH/c1-15(2)11(16(3)4)18-17-10-7-8(12)5-6-9(10)13-14-17;1-6(2,3,4)5;/h5-7H,1-4H3;;1H/q+1;;/p-1
InChIKey
WDKBRWKGVLPJPN-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
82.38
TPSA
46.19
LogP / Solubility
WLOGP
0.67
MLOGP
0.61
XLogP3
0.67
Consensus LogP
0.65
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly 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)
-4.77
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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