CAS RN: 228419-13-4
3-BENZYLOXYBENZHYDRAZIDE
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.20250717 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS228419-13-4
- Purity/Analytical Methods: >99.0%
228419-13-4 / 3-phenylmethoxybenzohydrazide
Basic Information
CAS
228419-13-4
Multi CAS
No
Molecular Formula
C14H14N2O2
Molecular Weight
242.270000
Exact Mass
242.105528
SMILES
C1=CC=C(C=C1)COC2=CC=CC(=C2)C(=O)NN
InChI
InChI=1S/C14H14N2O2/c15-16-14(17)12-7-4-8-13(9-12)18-10-11-5-2-1-3-6-11/h1-9H,10,15H2,(H,16,17)
InChIKey
JKJQCSNZIBXALH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
68.87
TPSA
64.35
LogP / Solubility
WLOGP
1.87
MLOGP
1.65
XLogP3
1.9
Consensus LogP
1.81
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.27
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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