CAS RN: 1247391-94-1
3-(4-Bromo-3-Fluorophenyl)-1,2-Oxazol-5-Amine(WX609193)
- Product code: SSC-028895
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 | Beijing | Inquiry |
1247391-94-1 / 3-(4-bromo-3-fluorophenyl)-1,2-oxazol-5-amine
Basic Information
CAS
1247391-94-1
Multi CAS
No
Molecular Formula
C9H6BrFN2O
Molecular Weight
257.060000
Exact Mass
255.964750
SMILES
C1=CC(=C(C=C1C2=NOC(=C2)N)F)Br
InChI
InChI=1S/C9H6BrFN2O/c10-6-2-1-5(3-7(6)11)8-4-9(12)14-13-8/h1-4H,12H2
InChIKey
RVPSPDWETWCJMH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.01
TPSA
52.05
LogP / Solubility
WLOGP
2.83
MLOGP
2.49
XLogP3
2.5
Consensus LogP
2.61
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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