CAS RN: 1217303-75-7
(5-Bromo-4-fluoro-2-nitro-phenyl)-hydrazine
- Product code: SSC-024359
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1217303-75-7 / (5-bromo-4-fluoro-2-nitrophenyl)hydrazine
Basic Information
CAS
1217303-75-7
Multi CAS
No
Molecular Formula
C6H5BrFN3O2
Molecular Weight
250.030000
Exact Mass
248.954920
SMILES
C1=C(C(=CC(=C1Br)F)[N+](=O)[O-])NN
InChI
InChI=1S/C6H5BrFN3O2/c7-3-1-5(10-9)6(11(12)13)2-4(3)8/h1-2,10H,9H2
InChIKey
UECNBEKERZHWCF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
48.56
TPSA
81.19
LogP / Solubility
WLOGP
1.78
MLOGP
1.57
XLogP3
2.3
Consensus LogP
1.88
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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