![CAS 940880-69-3 (S)-7,7Bis[(4S)-(phenyl)oxazol-2-yl)]-2,23,3tetrahydro-1,1spirobiindane, min. 97% (Sa,S,S)-SpiroBOX molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/940880-69-3.gif)
CAS RN: 940880-69-3
(S)-7,7Bis[(4S)-(phenyl)oxazol-2-yl)]-2,23,3tetrahydro-1,1spirobiindane, min. 97% (Sa,S,S)-SpiroBOX
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250613 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260221 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260601 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250228 | 50mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20251002 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS940880-69-3
- Purity/Analytical Methods: >99.0%
940880-69-3 / (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
940880-69-3
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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