![CAS 1706446-80-1 3-Bromo-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1706446-80-1.gif)
CAS RN: 1706446-80-1
3-Bromo-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260410 | 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1706446-80-1
- Purity/Analytical Methods: >99.0%
1706446-80-1 / 3-bromo-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
Basic Information
CAS
1706446-80-1
Multi CAS
No
Molecular Formula
C7H9BrN2O
Molecular Weight
217.060000
Exact Mass
215.989830
SMILES
CC1CN2C(=C(C=N2)Br)OC1
InChI
InChI=1S/C7H9BrN2O/c1-5-3-10-7(11-4-5)6(8)2-9-10/h2,5H,3-4H2,1H3
InChIKey
SARSDVCLMKIFEW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.57
H-bond acceptors
3
Molar refractivity
44.59
TPSA
27.05
LogP / Solubility
WLOGP
1.67
MLOGP
1.48
XLogP3
1.7
Consensus LogP
1.62
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
Class (SILICOS-IT)
Moderately 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)
-2.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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