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CAS 10389-08-9 calcium,2-aminoethyl phosphate molecular structure lightbox
CAS RN: 10389-08-9

calcium,2-aminoethyl phosphate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250221 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS10389-08-9
  • Purity/Analytical Methods: >99.0%
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10389-08-9 / calcium 2-aminoethyl phosphate

Phosphorylcolamine calcium | Y68G4M097Y | RefChem:1095546

Standard CAS: 10389-08-9 Multi CAS: Yes
Basic Information Computed Properties

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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