CAS RN: 2757082-38-3
INDEX NAME NOT YET ASSIGNED
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.20251102 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-127213
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
2757082-38-3 / (4S,5R)-2-[2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylpropan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
Basic Information
CAS
2757082-38-3
Multi CAS
Yes
Molecular Formula
C39H34N2O2
Molecular Weight
562.700000
Exact Mass
562.262028
InChI
InChI=1S/C39H34N2O2/c1-39(27-28-17-7-2-8-18-28,37-40-33(29-19-9-3-10-20-29)35(42-37)31-23-13-5-14-24-31)38-41-34(30-21-11-4-12-22-30)36(43-38)32-25-15-6-16-26-32/h2-26,33-36H,27H2,1H3/t33-,34-,35+,36+/m0/s1
InChIKey
IGVIJCJVSBUFQB-CLLHQPRTSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
30
Fraction Csp3
0.18
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
172.02
TPSA
43.18
LogP / Solubility
WLOGP
9.06
MLOGP
8.01
XLogP3
8.3
Consensus LogP
8.46
Log S (ESOL)
-9.02
Class (ESOL)
Insoluble
Log S (Ali)
-10.71
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.8
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)
0.28
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8
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