CAS RN: 6635-57-0
GLUTARALDEHYDE DIOXIME
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS6635-57-0
- Purity/Analytical Methods: >99.0%
6635-57-0 / N-(5-hydroxyiminopentylidene)hydroxylamine
Basic Information
CAS
6635-57-0
Multi CAS
Yes
Molecular Formula
C5H10N2O2
Molecular Weight
130.150000
Exact Mass
130.074228
InChI
InChI=1S/C5H10N2O2/c8-6-4-2-1-3-5-7-9/h4-5,8-9H,1-3H2
InChIKey
AVRPCDNPQAKCNP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
34.41
TPSA
65.18
LogP / Solubility
WLOGP
1.08
MLOGP
0.94
Consensus LogP
0.67
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.88
Class (SILICOS-IT)
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)
-2.75
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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