![CAS 890090-21-8 (R)-7,7Bis[(4S)-(phenyl)oxazol-2-yl)]-2,23,3tetrahydro-1,1spirobiindane, min. 97% (Ra,S,S)-SpiroBOX molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/890090-21-8.gif)
CAS RN: 890090-21-8
(R)-7,7Bis[(4S)-(phenyl)oxazol-2-yl)]-2,23,3tetrahydro-1,1spirobiindane, min. 97% (Ra,S,S)-SpiroBOX
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250321 | 10mg | In stock | Shanghai, Shandong | Inquiry |
- Product code: SSC-200841
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 |
890090-21-8 / (4S)-4-phenyl-2-[4'-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4-yl]-4,5-dihydro-1,3-oxazole
Basic Information
CAS
890090-21-8
Multi CAS
Yes
Molecular Formula
C35H30N2O2
Molecular Weight
510.600000
Exact Mass
510.230728
InChI
InChI=1S/C35H30N2O2/c1-3-9-23(10-4-1)29-21-38-33(36-29)27-15-7-13-25-17-19-35(31(25)27)20-18-26-14-8-16-28(32(26)35)34-37-30(22-39-34)24-11-5-2-6-12-24/h1-16,29-30H,17-22H2/t29-,30-,35?/m1/s1
InChIKey
OUEHZICAZAUZFM-NYHVVPQYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
24
Fraction Csp3
0.26
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
153.65
TPSA
43.18
LogP / Solubility
WLOGP
6.9
MLOGP
6.11
XLogP3
7.3
Consensus LogP
6.77
Log S (ESOL)
-7.55
Class (ESOL)
Insoluble
Log S (Ali)
-8.73
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.19
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)
-0.93
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8.5
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