CAS RN: 2361262-51-1
INDEX NAME NOT YET ASSIGNED
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251116 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2361262-51-1
- Purity/Analytical Methods: >99.0%
2361262-51-1 / 2-[1,3-bis(4-tert-butylphenyl)-2-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
Basic Information
CAS
2361262-51-1
Multi CAS
No
Molecular Formula
C53H54N2O2
Molecular Weight
751.000000
Exact Mass
750.418529
SMILES
CC(C)(C)C1=CC=C(C=C1)CC(CC2=CC=C(C=C2)C(C)(C)C)(C3=NC(C(O3)C4=CC=CC=C4)C5=CC=CC=C5)C6=NC(C(O6)C7=CC=CC=C7)C8=CC=CC=C8
InChI
InChI=1S/C53H54N2O2/c1-51(2,3)43-31-27-37(28-32-43)35-53(36-38-29-33-44(34-30-38)52(4,5)6,49-54-45(39-19-11-7-12-20-39)47(56-49)41-23-15-9-16-24-41)50-55-46(40-21-13-8-14-22-40)48(57-50)42-25-17-10-18-26-42/h7-34,45-48H,35-36H2,1-6H3
InChIKey
PPCMANUMEPDAPW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
57
Aromatic heavy atom count
36
Fraction Csp3
0.28
Rotatable bonds
10
H-bond acceptors
4
Molar refractivity
233.9
TPSA
43.18
LogP / Solubility
WLOGP
12.88
MLOGP
11.4
XLogP3
13.1
Consensus LogP
12.46
Log S (ESOL)
-12.42
Class (ESOL)
Insoluble
Log S (Ali)
-15.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.43
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)
1.84
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8.5
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