CAS RN: 2417321-38-9
(4R,5R)-4,5-Diphenyl-2-(quinolin-2-yl)-4,5-dihydrooxazole
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250502 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2417321-38-9
- Purity/Analytical Methods: >99.0%
2417321-38-9 / (4R,5R)-4,5-diphenyl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole
Basic Information
CAS
2417321-38-9
Multi CAS
No
Molecular Formula
C24H18N2O
Molecular Weight
350.400000
Exact Mass
350.141913
SMILES
C1=CC=C(C=C1)[C@@H]2[C@H](OC(=N2)C3=NC4=CC=CC=C4C=C3)C5=CC=CC=C5
InChI
InChI=1S/C24H18N2O/c1-3-10-18(11-4-1)22-23(19-12-5-2-6-13-19)27-24(26-22)21-16-15-17-9-7-8-14-20(17)25-21/h1-16,22-23H/t22-,23-/m1/s1
InChIKey
RLOADAOBQOTJID-DHIUTWEWSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
22
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
107.73
TPSA
34.48
LogP / Solubility
WLOGP
5.49
MLOGP
4.85
XLogP3
5.3
Consensus LogP
5.21
Log S (ESOL)
-5.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.86
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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