CAS RN: 86-54-4
Hydralazine
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS86-54-4
- Purity/Analytical Methods: >99.0%
86-54-4 / phthalazin-1-ylhydrazine
Basic Information
CAS
86-54-4
Multi CAS
Yes
Molecular Formula
C8H8N4
Molecular Weight
160.180000
Exact Mass
160.074896
InChI
InChI=1S/C8H8N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5H,9H2,(H,11,12)
InChIKey
RPTUSVTUFVMDQK-UHFFFAOYSA-N
Physical Properties
Melting Point
172-173 °C
172 - 173 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
47.35
TPSA
63.83
LogP / Solubility
WLOGP
0.92
MLOGP
0.8
XLogP3
0.7
Consensus LogP
0.81
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
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)
-3.05
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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