![CAS 1554086-90-6 Pyrazolo[5,1-b]oxazole, 7-bromo-2,3-dihydro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1554086-90-6.gif)
CAS RN: 1554086-90-6
Pyrazolo[5,1-b]oxazole, 7-bromo-2,3-dihydro-
- Product code: SSC-064688
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1554086-90-6 / 7-bromo-2,3-dihydropyrazolo[5,1-b][1,3]oxazole
Basic Information
CAS
1554086-90-6
Multi CAS
No
Molecular Formula
C5H5BrN2O
Molecular Weight
189.010000
Exact Mass
187.958530
SMILES
C1COC2=C(C=NN21)Br
InChI
InChI=1S/C5H5BrN2O/c6-4-3-7-8-1-2-9-5(4)8/h3H,1-2H2
InChIKey
XOXBTEVVYDCNOQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.4
H-bond acceptors
3
Molar refractivity
35.42
TPSA
27.05
LogP / Solubility
WLOGP
1.04
MLOGP
0.91
XLogP3
0.9
Consensus LogP
0.95
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.86
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)
-3.14
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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