![CAS 828918-24-7 2,6-Bis[(4R)-4,5-dihydro-4-(1-methylethyl)-5,5-diphenyl-2-oxazolyl]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/828918-24-7.gif)
CAS RN: 828918-24-7
2,6-Bis[(4R)-4,5-dihydro-4-(1-methylethyl)-5,5-diphenyl-2-oxazolyl]pyridine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250809 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS828918-24-7
- Purity/Analytical Methods: >99.0%
828918-24-7 / (4S)-2-[6-[(4S)-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]-2-pyridinyl]-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole
Basic Information
CAS
828918-24-7
Multi CAS
Yes
Molecular Formula
C41H39N3O2
Molecular Weight
605.800000
Exact Mass
605.304228
InChI
InChI=1S/C41H39N3O2/c1-28(2)36-40(30-18-9-5-10-19-30,31-20-11-6-12-21-31)45-38(43-36)34-26-17-27-35(42-34)39-44-37(29(3)4)41(46-39,32-22-13-7-14-23-32)33-24-15-8-16-25-33/h5-29,36-37H,1-4H3/t36-,37-/m1/s1
InChIKey
VUJKULRKYWRJLV-FZNHDDJXSA-N
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
30
Fraction Csp3
0.24
Rotatable bonds
8
H-bond acceptors
5
Molar refractivity
184.06
TPSA
56.07
LogP / Solubility
WLOGP
8.57
MLOGP
7.59
XLogP3
9.3
Consensus LogP
8.49
Log S (ESOL)
-8.95
Class (ESOL)
Insoluble
Log S (Ali)
-10.72
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.67
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.33
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7
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