CAS RN: 2562338-89-8
INDEX NAME NOT YET ASSIGNED
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.20260211 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-121765
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 | Beijing | Inquiry |
2562338-89-8 / (4S,5R)-2-[1-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
Basic Information
CAS
2562338-89-8
Multi CAS
Yes
Molecular Formula
C35H32N2O2
Molecular Weight
512.600000
Exact Mass
512.246378
InChI
InChI=1S/C35H32N2O2/c1-5-15-25(16-6-1)29-31(27-19-9-3-10-20-27)38-33(36-29)35(23-13-14-24-35)34-37-30(26-17-7-2-8-18-26)32(39-34)28-21-11-4-12-22-28/h1-12,15-22,29-32H,13-14,23-24H2/t29-,30-,31+,32+/m0/s1
InChIKey
WPRVHHTWEGTLPZ-GASGPIRDSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
24
Fraction Csp3
0.26
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
154.67
TPSA
43.18
LogP / Solubility
WLOGP
8.37
MLOGP
7.4
XLogP3
7.4
Consensus LogP
7.72
Log S (ESOL)
-8.35
Class (ESOL)
Insoluble
Log S (Ali)
-9.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.66
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)
0.1
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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