CAS RN: 346-61-2
3-Fluorobenzaldehyde 2,4-Dinitrophenylhydrazone
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.20260701 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS346-61-2
- Purity/Analytical Methods: >99.0%
346-61-2 / N-[(3-fluorophenyl)methylideneamino]-2,4-dinitroaniline
Basic Information
CAS
346-61-2
Multi CAS
Yes
Molecular Formula
C13FH9N4O4
Molecular Weight
304.230000
Exact Mass
304.060783
InChI
InChI=1S/C13H9FN4O4/c14-10-3-1-2-9(6-10)8-15-16-12-5-4-11(17(19)20)7-13(12)18(21)22/h1-8,16H
InChIKey
ZLGVXEXMJMVYRK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
77.37
TPSA
110.67
LogP / Solubility
WLOGP
3.09
MLOGP
2.73
XLogP3
2.6
Consensus LogP
2.81
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.8
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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