CAS RN: 13466-30-3
1-phenylethan-1-one hydrazone, 97%(HPLC)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250528 | 200mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LINP926695
13466-30-3 / (E)-1-phenylethylidenehydrazine
Basic Information
CAS
13466-30-3
Multi CAS
No
Molecular Formula
C8H10N2
Molecular Weight
134.180000
Exact Mass
134.084398
SMILES
C/C(=N\N)/C1=CC=CC=C1
InChI
InChI=1S/C8H10N2/c1-7(10-9)8-5-3-2-4-6-8/h2-6H,9H2,1H3/b10-7+
InChIKey
LEXOZHHIDPMMAC-JXMROGBWSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.84
TPSA
38.38
LogP / Solubility
WLOGP
1.37
MLOGP
1.2
XLogP3
1.5
Consensus LogP
1.36
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
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)
-2.57
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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