CAS RN: 2757082-35-0
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.20250314 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-127212
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 |
2757082-35-0 / 4-phenyl-2-[1-phenyl-2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole
Basic Information
CAS
2757082-35-0
Multi CAS
No
Molecular Formula
C27H26N2O2
Molecular Weight
410.500000
Exact Mass
410.199428
SMILES
CC(CC1=CC=CC=C1)(C2=NC(CO2)C3=CC=CC=C3)C4=NC(CO4)C5=CC=CC=C5
InChI
InChI=1S/C27H26N2O2/c1-27(17-20-11-5-2-6-12-20,25-28-23(18-30-25)21-13-7-3-8-14-21)26-29-24(19-31-26)22-15-9-4-10-16-22/h2-16,23-24H,17-19H2,1H3
InChIKey
ZTYRVDVKIHBGIV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.26
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
123.39
TPSA
43.18
LogP / Solubility
WLOGP
5.58
MLOGP
4.93
XLogP3
5.2
Consensus LogP
5.24
Log S (ESOL)
-5.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.68
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-1.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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