CAS RN: 817575-04-5
1-METHYL-3-PROPYLIMIDAZOLIUM PHOSPHATE
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.20260101 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-190099
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
- Available purity: ≥99%
- 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 |
|---|---|---|---|---|
| 1g | ≥99% | 0 Out of Stock | Shanghai | Inquiry |
817575-04-5 / 1-methyl-3-propylimidazol-1-ium phosphate
Basic Information
CAS
817575-04-5
Multi CAS
Yes
Molecular Formula
C7H13N2O4P-2
Molecular Weight
220.160000
Exact Mass
220.061294
InChI
InChI=1S/3C7H13N2.H3O4P/c3*1-3-4-9-6-5-8(2)7-9;1-5(2,3)4/h3*5-7H,3-4H2,1-2H3;(H3,1,2,3,4)/q3*+1;/p-3
InChIKey
XOEFAMQBRPLVFR-UHFFFAOYSA-K
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
43.51
TPSA
95.06
LogP / Solubility
WLOGP
-2.1
MLOGP
-1.85
XLogP3
-2.1
Consensus LogP
-2.02
Log S (ESOL)
-0.01
Class (ESOL)
Very soluble
Log S (Ali)
0.15
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.41
Class (SILICOS-IT)
Highly 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)
-5.56
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
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