CAS RN: 2279976-00-8
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.20250213 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-111011
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 | Shenzhen | Inquiry |
2279976-00-8 / 4-benzyl-2-[2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-1,3-diphenylpropan-2-yl]-4,5-dihydro-1,3-oxazole
Basic Information
CAS
2279976-00-8
Multi CAS
No
Molecular Formula
C35H34N2O2
Molecular Weight
514.700000
Exact Mass
514.262028
SMILES
C1C(N=C(O1)C(CC2=CC=CC=C2)(CC3=CC=CC=C3)C4=NC(CO4)CC5=CC=CC=C5)CC6=CC=CC=C6
InChI
InChI=1S/C35H34N2O2/c1-5-13-27(14-6-1)21-31-25-38-33(36-31)35(23-29-17-9-3-10-18-29,24-30-19-11-4-12-20-30)34-37-32(26-39-34)22-28-15-7-2-8-16-28/h1-20,31-32H,21-26H2/t31-,32-/m1/s1
InChIKey
XNXKGPGJFXJNKF-ROJLCIKYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
24
Fraction Csp3
0.26
Rotatable bonds
10
H-bond acceptors
4
Molar refractivity
157.37
TPSA
43.18
LogP / Solubility
WLOGP
6.54
MLOGP
5.79
XLogP3
7.3
Consensus LogP
6.54
Log S (ESOL)
-6.95
Class (ESOL)
Insoluble
Log S (Ali)
-8.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.63
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)
-1.22
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5
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