![CAS 1803416-28-5 “2-[(4S)-4,5-dihydro-4-phenyl-2-oxazolyl]-5-(trifluoromethyl)-Pyridine” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1803416-28-5.gif)
CAS RN: 1803416-28-5
“2-[(4S)-4,5-dihydro-4-phenyl-2-oxazolyl]-5-(trifluoromethyl)-Pyridine”
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250330 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS1803416-28-5
- Purity/Analytical Methods: >99.0%
1803416-28-5 / (4S)-4-phenyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
Basic Information
CAS
1803416-28-5
Multi CAS
No
Molecular Formula
C15H11F3N2O
Molecular Weight
292.260000
Exact Mass
292.082347
SMILES
C1[C@@H](N=C(O1)C2=NC=C(C=C2)C(F)(F)F)C3=CC=CC=C3
InChI
InChI=1S/C15H11F3N2O/c16-15(17,18)11-6-7-12(19-8-11)14-20-13(9-21-14)10-4-2-1-3-5-10/h1-8,13H,9H2/t13-/m1/s1
InChIKey
YZOJKEJLMYATFV-CYBMUJFWSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
70.91
TPSA
34.48
LogP / Solubility
WLOGP
3.62
MLOGP
3.2
XLogP3
3.3
Consensus LogP
3.37
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.8
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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