CAS RN: 148893-10-1
HATU
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock3 grade groups
- Product code: SSC-059025
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: 6
- 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 | Beijing | Inquiry |
| 10g | >97% | 5 In Stock | Shanghai | Inquiry |
| 25g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 100g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 500g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 1000g | >97% | 5 In Stock | Shenzhen | Inquiry |
148893-10-1 / [dimethylamino-(3-oxidotriazolo[4,5-b]pyridin-3-ium-1-yl)methylidene]-dimethylazanium hexafluorophosphate
Basic Information
CAS
148893-10-1
Multi CAS
No
Molecular Formula
C10H15F6N6OP
Molecular Weight
380.230000
Exact Mass
380.094915
SMILES
CN(C)C(=[N+](C)C)N1C2=C(N=CC=C2)[N+](=N1)[O-].F[P-](F)(F)(F)(F)F
InChI
InChI=1S/C10H15N6O.F6P/c1-13(2)10(14(3)4)15-8-6-5-7-11-9(8)16(17)12-15;1-7(2,3,4,5)6/h5-7H,1-4H3;/q+1;-1
InChIKey
FKBFHOSFPRWJNV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
9
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
76.26
TPSA
63.9
LogP / Solubility
WLOGP
2.48
MLOGP
2.21
XLogP3
2.48
Consensus LogP
2.39
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.28
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
Safety & Transport
Pictogram(s)
Flammable
Irritant
Signal
Danger
GHS Hazard Statements
H228 (28%): Flammable solid [Danger Flammable solids]
H315 (36%): Causes skin irritation [Warning Skin corrosion/irritation]
H317 (65.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H319 (36%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (34.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P240, P241, P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501
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