CAS RN: 53370-50-6
(1Z)-N′,3-Dihydroxypropanimidamide
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.20250205 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Chongqing | Inquiry |
- Product code: LINZ921758
53370-50-6 / N',3-dihydroxypropanimidamide
Basic Information
CAS
53370-50-6
Multi CAS
Yes
Molecular Formula
C3H8N2O2
Molecular Weight
104.110000
Exact Mass
104.058578
InChI
InChI=1S/C3H8N2O2/c4-3(5-7)1-2-6/h6-7H,1-2H2,(H2,4,5)
InChIKey
GBWDQWAJGWNKHQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
25.11
TPSA
78.84
LogP / Solubility
WLOGP
-0.88
MLOGP
-0.79
XLogP3
-1.4
Consensus LogP
-1.02
Log S (ESOL)
0.2
Class (ESOL)
Highly soluble
Log S (Ali)
0.23
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.16
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.98
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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