CAS RN: 500024-74-8
3,4-DIFLUORO-N-HYDROXY-BENZAMIDINE
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.20250123 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS500024-74-8
- Purity/Analytical Methods: >99.0%
500024-74-8 / 3,4-difluoro-N'-hydroxybenzenecarboximidamide
Basic Information
CAS
500024-74-8
Multi CAS
Yes
Molecular Formula
C7F2H6N2O
Molecular Weight
172.130000
Exact Mass
172.044819
InChI
InChI=1S/C7H6F2N2O/c8-5-2-1-4(3-6(5)9)7(10)11-12/h1-3,12H,(H2,10,11)
InChIKey
OGCLGUHODKKLSH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
38.87
TPSA
58.61
LogP / Solubility
WLOGP
1.06
MLOGP
0.93
XLogP3
1.4
Consensus LogP
1.13
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
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)
-3.02
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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