CAS RN: 2088982-18-5
6,6′-bis((S)-4-benzyl-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.20250621 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2088982-18-5
- Purity/Analytical Methods: >99.0%
2088982-18-5 / (4S)-4-benzyl-2-[6-[6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
Basic Information
CAS
2088982-18-5
Multi CAS
No
Molecular Formula
C30H26N4O2
Molecular Weight
474.600000
Exact Mass
474.205576
SMILES
C1[C@@H](N=C(O1)C2=CC=CC(=N2)C3=NC(=CC=C3)C4=N[C@H](CO4)CC5=CC=CC=C5)CC6=CC=CC=C6
InChI
InChI=1S/C30H26N4O2/c1-3-9-21(10-4-1)17-23-19-35-29(31-23)27-15-7-13-25(33-27)26-14-8-16-28(34-26)30-32-24(20-36-30)18-22-11-5-2-6-12-22/h1-16,23-24H,17-20H2/t23-,24-/m0/s1
InChIKey
BGOXNFZGFWMHTG-ZEQRLZLVSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
24
Fraction Csp3
0.2
Rotatable bonds
7
H-bond acceptors
6
Molar refractivity
140.31
TPSA
68.96
LogP / Solubility
WLOGP
4.92
MLOGP
4.36
XLogP3
5.2
Consensus LogP
4.83
Log S (ESOL)
-5.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.67
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)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5
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