CAS RN: 649765-80-0
4-Hydrazinyl-1-phthalazinaMine
Product Availability
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4 package records1 with current stock1 grade group
- Product code: starshine_CAS649765-80-0
- Purity/Analytical Methods: >99.0%
649765-80-0 / 4-hydrazinylphthalazin-1-amine
Basic Information
CAS
649765-80-0
Multi CAS
No
Molecular Formula
C8H9N5
Molecular Weight
175.190000
Exact Mass
175.085795
InChI
InChI=1S/C8H9N5/c9-7-5-3-1-2-4-6(5)8(11-10)13-12-7/h1-4H,10H2,(H2,9,12)(H,11,13)
InChIKey
JDPXVGKVYHPTFQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
3
Molar refractivity
51.76
TPSA
89.85
LogP / Solubility
WLOGP
0.5
MLOGP
0.43
XLogP3
0.3
Consensus LogP
0.41
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.36
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.33
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-3.44
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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