![CAS 2283330-44-7 Oxazole, 2,2′-[2-[4-(1,1-dimethylethyl)phenyl]-1-[[4-(1,1-dimethylethyl)phenyl]methyl]ethylidene]bis[4-(1,1-dimethylethyl)-4,5-dihydro-, (4S,4’S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2283330-44-7.gif)
CAS RN: 2283330-44-7
Oxazole, 2,2′-[2-[4-(1,1-dimethylethyl)phenyl]-1-[[4-(1,1-dimethylethyl)phenyl]methyl]ethylidene]bis[4-(1,1-dimethylethyl)-4,5-dihydro-, (4S,4’S)-
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.20260414 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2283330-44-7
- Purity/Analytical Methods: >99.0%
2283330-44-7 / 4-tert-butyl-2-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-1,3-bis(4-tert-butylphenyl)propan-2-yl]-4,5-dihydro-1,3-oxazole
Basic Information
CAS
2283330-44-7
Multi CAS
No
Molecular Formula
C37H54N2O2
Molecular Weight
558.800000
Exact Mass
558.418529
SMILES
CC(C)(C)C1COC(=N1)C(CC2=CC=C(C=C2)C(C)(C)C)(CC3=CC=C(C=C3)C(C)(C)C)C4=NC(CO4)C(C)(C)C
InChI
InChI=1S/C37H54N2O2/c1-33(2,3)27-17-13-25(14-18-27)21-37(31-38-29(23-40-31)35(7,8)9,32-39-30(24-41-32)36(10,11)12)22-26-15-19-28(20-16-26)34(4,5)6/h13-20,29-30H,21-24H2,1-12H3/t29-,30-/m1/s1
InChIKey
LWPPAJASVJBTNL-LOYHVIPDSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
12
Fraction Csp3
0.62
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
173.38
TPSA
43.18
LogP / Solubility
WLOGP
8.74
MLOGP
7.73
XLogP3
10.1
Consensus LogP
8.86
Log S (ESOL)
-8.63
Class (ESOL)
Insoluble
Log S (Ali)
-10.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.27
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)
0.08
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5
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