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CAS 10389-09-0 ASPARTATE CALCIUM molecular structure lightbox
CAS RN: 10389-09-0

ASPARTATE CALCIUM

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Batchno.20250616 500mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS10389-09-0
  • Purity/Analytical Methods: >99.0%
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10389-09-0 / calcium (2S)-2-aminobutanedioate

calcium l-aspartate | Calcium aspartate | Aspartate calcium

Standard CAS: 10389-09-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10389-09-0
Multi CAS
Yes
Molecular Formula
C4H5CaNO4
Molecular Weight
171.160000
Exact Mass
170.984449
SMILES
C([C@@H](C(=O)[O-])N)C(=O)[O-].[Ca+2]
InChI
InChI=1S/C4H7NO4.Ca/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/q;+2/p-2/t2-;/m0./s1
InChIKey
OPSXJNAGCGVGOG-DKWTVANSSA-L
Synonyms
calcium l-aspartate Calcium aspartate Aspartate calcium Asparaginate calcium Calcium aspartate anhydrous

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
28.36
TPSA
106.28

LogP / Solubility

WLOGP
-4.18
MLOGP
-3.68
XLogP3
-4.18
Consensus LogP
-4.01
Log S (ESOL)
1.93
Class (ESOL)
Highly soluble
Log S (Ali)
2.05
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.33
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)
-6.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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