CAS RN: 4023-00-1
Praxadine
Product Availability
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2 package records0 with current stock2 grade groups
- Product code: starshine_CAS4023-00-1
- Purity/Analytical Methods: >99.0%
4023-00-1 / pyrazole-1-carboximidamide
Basic Information
CAS
4023-00-1
Multi CAS
Yes
Molecular Formula
C4H6N4
Molecular Weight
110.120000
Exact Mass
110.059246
InChI
InChI=1S/C4H6N4/c5-4(6)8-3-1-2-7-8/h1-3H,(H3,5,6)
InChIKey
UCQFSGCWHRTMGG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
29.54
TPSA
67.69
LogP / Solubility
WLOGP
-0.38
MLOGP
-0.34
XLogP3
-0.4
Consensus LogP
-0.37
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-0.19
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.06
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)
-3.66
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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