CAS RN: 557-30-2
GLYOXIME
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS557-30-2
- Purity/Analytical Methods: >99.0%
557-30-2 / (NE)-N-[(2E)-2-hydroxyiminoethylidene]hydroxylamine
Basic Information
CAS
557-30-2
Multi CAS
Yes
Molecular Formula
C2H4N2O2
Molecular Weight
88.070000
Exact Mass
88.027277
InChI
InChI=1S/C2H4N2O2/c5-3-1-2-4-6/h1-2,5-6H/b3-1+,4-2+
InChIKey
LJHFIVQEAFAURQ-ZPUQHVIOSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
20.56
TPSA
65.18
LogP / Solubility
WLOGP
-0.09
MLOGP
-0.1
XLogP3
0.1
Consensus LogP
-0.03
Log S (ESOL)
-0.26
Class (ESOL)
Very soluble
Log S (Ali)
-0.21
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.27
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
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)
-3.32
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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