CAS RN: 56516-72-4
N-Nitroso-N-(phosphonoMethyl)glycine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260320 | 25mg / 100mg / 500mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS56516-72-4
- Purity/Analytical Methods: >99.0%
56516-72-4 / 2-[nitroso(phosphonomethyl)amino]acetic acid
Basic Information
CAS
56516-72-4
Multi CAS
Yes
Molecular Formula
C3H7N2O6P
Molecular Weight
198.070000
Exact Mass
198.004173
InChI
InChI=1S/C3H7N2O6P/c6-3(7)1-5(4-8)2-12(9,10)11/h1-2H2,(H,6,7)(H2,9,10,11)
InChIKey
BJYYBQPCMQGLLZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.67
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
37.05
TPSA
127.5
LogP / Solubility
WLOGP
-0.81
MLOGP
-0.71
XLogP3
-1.9
Consensus LogP
-1.14
Log S (ESOL)
-0.23
Class (ESOL)
Very soluble
Log S (Ali)
-0.6
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.87
Class (SILICOS-IT)
Very 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)
-4.5
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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