![CAS 182122-13-0 “(3aS,3a’S,8aR,8a’R)-2,2′-Cyclohexylidenebis[8,8a-dihydro-3aH-indeno[1,2-d]oxazole],99%e.e.” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/182122-13-0.gif)
CAS RN: 182122-13-0
“(3aS,3a’S,8aR,8a’R)-2,2′-Cyclohexylidenebis[8,8a-dihydro-3aH-indeno[1,2-d]oxazole],99%e.e.”
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250209 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250309 | 100mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry | |
| Batchno.20260204 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry | |
| Batchno.20251111 | 250mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20250805 | 5g | In stock | Shenzhen, Tianjin, Chengdu | Inquiry |
- Product code: starshine_CAS182122-13-0
- Purity/Analytical Methods: >99.0%
182122-13-0 / (3aR,8bS)-2-[1-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclohexyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
Basic Information
CAS
182122-13-0
Multi CAS
No
Molecular Formula
C26H26N2O2
Molecular Weight
398.500000
Exact Mass
398.199428
SMILES
C1CCC(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/C26H26N2O2/c1-6-12-26(13-7-1,24-27-22-18-10-4-2-8-16(18)14-20(22)29-24)25-28-23-19-11-5-3-9-17(19)15-21(23)30-25/h2-5,8-11,20-23H,1,6-7,12-15H2/t20-,21-,22+,23+/m1/s1
InChIKey
RPTWHOHESXOONM-LUKWVAJMSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
115.91
TPSA
43.18
LogP / Solubility
WLOGP
5.13
MLOGP
4.53
XLogP3
5.1
Consensus LogP
4.92
Log S (ESOL)
-5.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.75
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)
-1.51
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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