![CAS 1246401-50-2 “(4R,4’R)-2,2′-[2-phenyl-1-(phenylmethyl)ethylidene]bis[4-(1-methylethyl)-4,5-dihydro-Oxazole” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1246401-50-2.gif)
CAS RN: 1246401-50-2
“(4R,4’R)-2,2′-[2-phenyl-1-(phenylmethyl)ethylidene]bis[4-(1-methylethyl)-4,5-dihydro-Oxazole”
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260127 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry | |
| Batchno.20260202 | 1g | In stock | Shanghai, Tianjin, Chengdu | Inquiry | |
| Batchno.20250811 | 250mg | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry | |
| Batchno.20251010 | 5g | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250510 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1246401-50-2
- Purity/Analytical Methods: >99.0%
1246401-50-2 / (4R)-2-[1,3-diphenyl-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole
Basic Information
CAS
1246401-50-2
Multi CAS
No
Molecular Formula
C33H30N2O2
Molecular Weight
486.600000
Exact Mass
486.230728
SMILES
C1[C@H](N=C(O1)C(CC2=CC=CC=C2)(CC3=CC=CC=C3)C4=N[C@@H](CO4)C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C33H30N2O2/c1-5-13-25(14-6-1)21-33(22-26-15-7-2-8-16-26,31-34-29(23-36-31)27-17-9-3-10-18-27)32-35-30(24-37-32)28-19-11-4-12-20-28/h1-20,29-30H,21-24H2/t29-,30-/m0/s1
InChIKey
VUHWEWXNPGCLJE-KYJUHHDHSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
24
Fraction Csp3
0.21
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
147.86
TPSA
43.18
LogP / Solubility
WLOGP
6.8
MLOGP
6.02
XLogP3
6.7
Consensus LogP
6.51
Log S (ESOL)
-7.09
Class (ESOL)
Insoluble
Log S (Ali)
-8.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.43
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5
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