CAS RN: 83846-92-8
choline dihydrogen 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 | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250328 | 200mg / 1g / 5g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS83846-92-8
- Purity/Analytical Methods: >99.0%
83846-92-8 / dihydrogen phosphate;2-hydroxyethyl(trimethyl)azanium
Basic Information
CAS
83846-92-8
Multi CAS
Yes
Molecular Formula
C5H16NO5P
Molecular Weight
201.160000
Exact Mass
201.076610
InChI
InChI=1S/C5H14NO.H3O4P/c1-6(2,3)4-5-7;1-5(2,3)4/h7H,4-5H2,1-3H3;(H3,1,2,3,4)/q+1;/p-1
InChIKey
LPPJNZJBKFSQGA-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
42.03
TPSA
100.82
LogP / Solubility
WLOGP
-1.88
MLOGP
-1.65
XLogP3
-1.88
Consensus LogP
-1.8
Log S (ESOL)
0.23
Class (ESOL)
Highly soluble
Log S (Ali)
0.14
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.35
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)
-5.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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