Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
116681-58-4 / (2,3-difluorophenyl)hydrazine
(2,3-difluorophenyl)hydrazine | Hydrazine, (2,3-difluorophenyl)- | 2,3-difluorophenylhydrazine
Basic Information
CAS
116681-58-4
Multi CAS
No
Molecular Formula
C6H6F2N2
Molecular Weight
144.120000
Exact Mass
144.049905
SMILES
C1=CC(=C(C(=C1)F)F)NN
InChI
InChI=1S/C6H6F2N2/c7-4-2-1-3-5(10-9)6(4)8/h1-3,10H,9H2
InChIKey
KUZSKMQWYVHGFE-UHFFFAOYSA-N
Synonyms
(2,3-difluorophenyl)hydrazine
Hydrazine, (2,3-difluorophenyl)-
2,3-difluorophenylhydrazine
2,3-difluorophenyl hydrazine
SCHEMBL3231386
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
34.17
TPSA
38.05
LogP / Solubility
WLOGP
1.25
MLOGP
1.09
XLogP3
1.4
Consensus LogP
1.25
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
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)
-2.71
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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