CAS RN: 73226-73-0
FR 900098 MonosodiuM Salt
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS73226-73-0
- Purity/Analytical Methods: >99.0%
73226-73-0 / sodium 3-[acetyl(hydroxy)amino]propyl-hydroxyphosphinate
Basic Information
CAS
73226-73-0
Multi CAS
Yes
Molecular Formula
C5H11NNAO5P
Molecular Weight
219.110000
Exact Mass
219.027254
InChI
InChI=1S/C5H12NO5P.Na/c1-5(7)6(8)3-2-4-12(9,10)11;/h8H,2-4H2,1H3,(H2,9,10,11);/q;+1/p-1
InChIKey
LCFXFDGYDKNWMD-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
38.48
TPSA
100.9
LogP / Solubility
WLOGP
-3.84
MLOGP
-3.37
XLogP3
-3.84
Consensus LogP
-3.68
Log S (ESOL)
1.48
Class (ESOL)
Highly soluble
Log S (Ali)
1.41
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.62
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)
-6.78
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
2
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