CAS RN: 10389-08-9
calcium,2-aminoethyl phosphate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250221 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS10389-08-9
- Purity/Analytical Methods: >99.0%
10389-08-9 / calcium 2-aminoethyl phosphate
Phosphorylcolamine calcium | Y68G4M097Y | RefChem:1095546
Basic Information
CAS
10389-08-9
Multi CAS
Yes
Molecular Formula
C2H6CaNO4P
Molecular Weight
179.130000
Exact Mass
178.966036
SMILES
C(COP(=O)([O-])[O-])N.[Ca+2]
InChI
InChI=1S/C2H8NO4P.Ca/c3-1-2-7-8(4,5)6;/h1-3H2,(H2,4,5,6);/q;+2/p-2
InChIKey
SYLKQIHLJRQWAY-UHFFFAOYSA-L
Synonyms
Phosphorylcolamine calcium
Y68G4M097Y
RefChem:1095546
Calcium 2-aminoethyl phosphate
calcium;2-aminoethyl phosphate
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
28.37
TPSA
98.44
LogP / Solubility
WLOGP
-2.59
MLOGP
-2.28
XLogP3
-2.59
Consensus LogP
-2.49
Log S (ESOL)
0.88
Class (ESOL)
Highly soluble
Log S (Ali)
0.84
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.97
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)
-5.65
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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