CAS RN: 4746-60-5
2-HYDROXY-ACETAMIDINE HCL
Product Availability
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2 package records2 with current stock2 grade groups
- Product code: starshine_CAS4746-60-5
- Purity/Analytical Methods: >99.0%
4746-60-5 / 2-hydroxyethanimidamide
Basic Information
CAS
4746-60-5
Multi CAS
Yes
Molecular Formula
C2H6N2O
Molecular Weight
74.080000
Exact Mass
74.048013
InChI
InChI=1S/C2H6N2O/c3-2(4)1-5/h5H,1H2,(H3,3,4)
InChIKey
YSRCXLROFNRHLU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
3
Molar refractivity
19
TPSA
70.1
LogP / Solubility
WLOGP
-1.09
MLOGP
-0.97
XLogP3
-1.4
Consensus LogP
-1.15
Log S (ESOL)
0.45
Class (ESOL)
Highly soluble
Log S (Ali)
0.62
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.64
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)
-3.94
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
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