![CAS 2085239-89-8 (3aR,3’aR,8aS,8’aS)-2,2′-Cyclohexylidenebis[3a,8a-dihydro-8H-indeno[1,2-d]oxazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2085239-89-8.png)
CAS RN: 2085239-89-8
(3aR,3’aR,8aS,8’aS)-2,2′-Cyclohexylidenebis[3a,8a-dihydro-8H-indeno[1,2-d]oxazole
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250523 | 50mg / 100mg / 250mg / 1g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-098020
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 | Hong Kong | Inquiry |
2085239-89-8 / (3aS,8bR)-2-[1-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cycloheptyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
Basic Information
CAS
2085239-89-8
Multi CAS
No
Molecular Formula
C27H28N2O2
Molecular Weight
412.500000
Exact Mass
412.215078
SMILES
C1CCCC(CC1)(C2=N[C@H]3[C@@H](O2)CC4=CC=CC=C34)C5=N[C@H]6[C@@H](O5)CC7=CC=CC=C67
InChI
InChI=1S/C27H28N2O2/c1-2-8-14-27(13-7-1,25-28-23-19-11-5-3-9-17(19)15-21(23)30-25)26-29-24-20-12-6-4-10-18(20)16-22(24)31-26/h3-6,9-12,21-24H,1-2,7-8,13-16H2/t21-,22-,23+,24+/m0/s1
InChIKey
GEDBYJPWMQLKNP-CJRSTVEYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
120.53
TPSA
43.18
LogP / Solubility
WLOGP
5.52
MLOGP
4.88
XLogP3
5.6
Consensus LogP
5.33
Log S (ESOL)
-6.03
Class (ESOL)
Insoluble
Log S (Ali)
-6.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.16
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)
-1.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5
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