![CAS 1429893-25-3 5H-Pyrazolo[5,1-b][1,3]oxazine, 3-bromo-2-(4-fluorophenyl)-6,7-dihydro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1429893-25-3.gif)
CAS RN: 1429893-25-3
5H-Pyrazolo[5,1-b][1,3]oxazine, 3-bromo-2-(4-fluorophenyl)-6,7-dihydro-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250327 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1429893-25-3
- Purity/Analytical Methods: >99.0%
1429893-25-3 / 3-bromo-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
Basic Information
CAS
1429893-25-3
Multi CAS
No
Molecular Formula
C12H10BrFN2O
Molecular Weight
297.120000
Exact Mass
295.996050
SMILES
C1CN2C(=C(C(=N2)C3=CC=C(C=C3)F)Br)OC1
InChI
InChI=1S/C12H10BrFN2O/c13-10-11(8-2-4-9(14)5-3-8)15-16-6-1-7-17-12(10)16/h2-5H,1,6-7H2
InChIKey
CXEMAQKHSSUHHS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
65.43
TPSA
27.05
LogP / Solubility
WLOGP
3.23
MLOGP
2.86
XLogP3
3.1
Consensus LogP
3.06
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.4
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.24
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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