CAS RN: 72556-74-2
Phosphocholine Chloride Calcium Salt Tetrahydrate
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock2 grade groups
- Product code: SSC-182048
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
- Available purity: ≥95%
- 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 | ≥95% | 5 In Stock | Hong Kong | Inquiry |
| 10g | ≥95% | 4 In Stock | Shanghai | Inquiry |
| 25g | ≥95% | 3 In Stock | Shanghai | Inquiry |
| 100g | ≥95% | 3 In Stock | Shenzhen | Inquiry |
| 500g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
72556-74-2 / calcium;2-(trimethylazaniumyl)ethyl phosphate;chloride;tetrahydrate
Basic Information
CAS
72556-74-2
Multi CAS
Yes
Molecular Formula
C5H21CACLNO8P
Molecular Weight
329.730000
Exact Mass
329.031922
InChI
InChI=1S/C5H14NO4P.Ca.ClH.4H2O/c1-6(2,3)4-5-10-11(7,8)9;;;;;;/h4-5H2,1-3H3,(H-,7,8,9);;1H;4*1H2/q;+2;;;;;/p-2
InChIKey
JGULOZKZZMBGFX-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
4
Molar refractivity
56.67
TPSA
198.42
LogP / Solubility
WLOGP
-8.14
MLOGP
-7.15
XLogP3
-8.14
Consensus LogP
-7.81
Log S (ESOL)
3.51
Class (ESOL)
Highly soluble
Log S (Ali)
3.61
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
4.47
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)
-10.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
