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CAS RN: 3879-08-1
4-HYDROXYBUTYRIC ACID HYDRAZIDE
Product Availability
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9 package records8 with current stock2 grade groups
- Product code: starshine_CAS3879-08-1
- Purity/Analytical Methods: >99.0%
3879-08-1 / 4-hydroxybutanehydrazide
Basic Information
CAS
3879-08-1
Multi CAS
Yes
Molecular Formula
C4H10N2O2
Molecular Weight
118.130000
Exact Mass
118.074228
InChI
InChI=1S/C4H10N2O2/c5-6-4(8)2-1-3-7/h7H,1-3,5H2,(H,6,8)
InChIKey
WOXQFPPKZBOSTN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
28.65
TPSA
75.35
LogP / Solubility
WLOGP
-1.25
MLOGP
-1.11
XLogP3
-1.8
Consensus LogP
-1.39
Log S (ESOL)
0.41
Class (ESOL)
Highly soluble
Log S (Ali)
0.37
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.25
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)
-4.33
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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