CAS RN: 2492-30-0
ACETOPHENONESEMICARBAZONE
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.20250217 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2492-30-0
- Purity/Analytical Methods: >99.0%
2492-30-0 / (1-phenylethylideneamino)urea
Basic Information
CAS
2492-30-0
Multi CAS
Yes
Molecular Formula
C9H11N3O
Molecular Weight
177.200000
Exact Mass
177.090212
InChI
InChI=1S/C9H11N3O/c1-7(11-12-9(10)13)8-5-3-2-4-6-8/h2-6H,1H3,(H3,10,12,13)
InChIKey
CPXYGYOMIMOSCX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.37
TPSA
67.48
LogP / Solubility
WLOGP
1.08
MLOGP
0.95
XLogP3
0.8
Consensus LogP
0.94
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
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)
-3.03
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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