CAS RN: 59342-31-3
2-hydrazinyl-4(3H)-Quinazolinone
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260422 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS59342-31-3
- Purity/Analytical Methods: >99.0%
59342-31-3 / 2-hydrazinyl-3H-quinazolin-4-one
Basic Information
CAS
59342-31-3
Multi CAS
Yes
Molecular Formula
C8H8N4O
Molecular Weight
176.180000
Exact Mass
176.069811
InChI
InChI=1S/C8H8N4O/c9-12-8-10-6-4-2-1-3-5(6)7(13)11-8/h1-4H,9H2,(H2,10,11,12,13)
InChIKey
UCFYYWZQWKEOOI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
50.17
TPSA
83.8
LogP / Solubility
WLOGP
0.21
MLOGP
0.18
XLogP3
-0.2
Consensus LogP
0.06
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.1
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)
-3.65
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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