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 |
1133930-99-0 / 5-bromo-1,2-oxazole
5-bromo-1,2-oxazole | DTXSID80602788 | RefChem:301382
Basic Information
CAS
1133930-99-0
Multi CAS
No
Molecular Formula
C3H2BrNO
Molecular Weight
147.960000
Exact Mass
146.931980
SMILES
C1=C(ON=C1)Br
InChI
InChI=1S/C3H2BrNO/c4-3-1-2-5-6-3/h1-2H
InChIKey
JWNFJNDECYNGRC-UHFFFAOYSA-N
Synonyms
5-bromo-1,2-oxazole
DTXSID80602788
RefChem:301382
DTXCID40553545
5-BROMOISOXAZOLE
Computed Properties
Structural Parameters
Heavy atom count
6
Aromatic heavy atom count
5
H-bond acceptors
2
Molar refractivity
24.2
TPSA
26.03
LogP / Solubility
WLOGP
1.44
MLOGP
1.26
XLogP3
1.4
Consensus LogP
1.37
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
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)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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