CAS RN: 2757082-90-7
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.20251010 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-127240
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 |
2757082-90-7 / (4R)-4-tert-butyl-2-[6-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]dibenzofuran-4-yl]-4,5-dihydro-1,3-oxazole
Basic Information
CAS
2757082-90-7
Multi CAS
Yes
Molecular Formula
C26H30N2O3
Molecular Weight
418.500000
Exact Mass
418.225643
InChI
InChI=1S/C26H30N2O3/c1-25(2,3)19-13-29-23(27-19)17-11-7-9-15-16-10-8-12-18(22(16)31-21(15)17)24-28-20(14-30-24)26(4,5)6/h7-12,19-20H,13-14H2,1-6H3/t19-,20-/m0/s1
InChIKey
ZNOKFCCBAVCIIJ-PMACEKPBSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
13
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
125.18
TPSA
56.32
LogP / Solubility
WLOGP
5.97
MLOGP
5.28
XLogP3
6.3
Consensus LogP
5.85
Log S (ESOL)
-6.37
Class (ESOL)
Insoluble
Log S (Ali)
-7.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.57
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)
-1.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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