![CAS 1257426-19-9 (S)-2-nitro-6-((6-(4-(trifluoroMethoxy)phenyl)pyridin-3-yl)Methoxy)-6,7-dihydro-5H-iMidazo[2,1-b][1,3]oxazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1257426-19-9.gif)
CAS RN: 1257426-19-9
(S)-2-nitro-6-((6-(4-(trifluoroMethoxy)phenyl)pyridin-3-yl)Methoxy)-6,7-dihydro-5H-iMidazo[2,1-b][1,3]oxazine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250304 | 2mg / 5mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1257426-19-9
- Purity/Analytical Methods: >99.0%
1257426-19-9 / (6S)-2-nitro-6-[[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
Basic Information
CAS
1257426-19-9
Multi CAS
No
Molecular Formula
C19H15F3N4O5
Molecular Weight
436.300000
Exact Mass
436.099454
SMILES
C1[C@@H](COC2=NC(=CN21)[N+](=O)[O-])OCC3=CN=C(C=C3)C4=CC=C(C=C4)OC(F)(F)F
InChI
InChI=1S/C19H15F3N4O5/c20-19(21,22)31-14-4-2-13(3-5-14)16-6-1-12(7-23-16)10-29-15-8-25-9-17(26(27)28)24-18(25)30-11-15/h1-7,9,15H,8,10-11H2/t15-/m0/s1
InChIKey
ZXSGSFMORAILEY-HNNXBMFYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
17
Fraction Csp3
0.26
Rotatable bonds
6
H-bond acceptors
8
Molar refractivity
99.31
TPSA
101.54
LogP / Solubility
WLOGP
3.73
MLOGP
3.31
XLogP3
3.4
Consensus LogP
3.48
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.31
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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