CAS RN: 273216-89-0
6,6′-bis((S)-4-phenyl-4,5-dihydrooxazol-2-yl)-2,2′-bipyridine
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251118 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS273216-89-0
- Purity/Analytical Methods: >99.0%
273216-89-0 / (4S)-4-phenyl-2-[6-[6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
Basic Information
CAS
273216-89-0
Multi CAS
Yes
Molecular Formula
C28H22N4O2
Molecular Weight
446.500000
Exact Mass
446.174276
InChI
InChI=1S/C28H22N4O2/c1-3-9-19(10-4-1)25-17-33-27(31-25)23-15-7-13-21(29-23)22-14-8-16-24(30-22)28-32-26(18-34-28)20-11-5-2-6-12-20/h1-16,25-26H,17-18H2/t25-,26-/m1/s1
InChIKey
IGCOZILWCDLYHM-CLJLJLNGSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
24
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
130.81
TPSA
68.96
LogP / Solubility
WLOGP
5.18
MLOGP
4.59
XLogP3
4.6
Consensus LogP
4.79
Log S (ESOL)
-6.06
Class (ESOL)
Insoluble
Log S (Ali)
-6.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.46
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)
-1.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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