CAS RN: 229184-96-7
(4R,4’R,5S,5’S)-2,2′-cyclopropylidenebis[4,5-dihydro-4,5-diphenyl-Oxazole
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260527 | 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-111513
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
229184-96-7 / (4R,5S)-2-[1-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
Basic Information
CAS
229184-96-7
Multi CAS
No
Molecular Formula
C33H28N2O2
Molecular Weight
484.600000
Exact Mass
484.215078
SMILES
C1CC1(C2=N[C@@H]([C@@H](O2)C3=CC=CC=C3)C4=CC=CC=C4)C5=N[C@@H]([C@@H](O5)C6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C33H28N2O2/c1-5-13-23(14-6-1)27-29(25-17-9-3-10-18-25)36-31(34-27)33(21-22-33)32-35-28(24-15-7-2-8-16-24)30(37-32)26-19-11-4-12-20-26/h1-20,27-30H,21-22H2/t27-,28-,29+,30+/m1/s1
InChIKey
UAXGHJCFHMQPBJ-XAZDILKDSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
24
Fraction Csp3
0.21
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
145.44
TPSA
43.18
LogP / Solubility
WLOGP
7.59
MLOGP
6.71
XLogP3
6.3
Consensus LogP
6.87
Log S (ESOL)
-7.71
Class (ESOL)
Insoluble
Log S (Ali)
-9.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.83
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)
-0.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8
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![CAS 229184-98-9 (3aR,3’aR,8aS,8’a’S)-2,2′-cyclopropylidenebis[3a,8a-dihydro-8H-Indeno[1,2-d]oxazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/229184-98-9.gif)
