![CAS 182122-10-7 (3aS,3’aS,8aR,8’aR)-2,2′-Cyclobutylidenebis[3a,8a-dihydro-8H-indeno[1,2-d]oxazole] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/182122-10-7.gif)
CAS RN: 182122-10-7
(3aS,3’aS,8aR,8’aR)-2,2′-Cyclobutylidenebis[3a,8a-dihydro-8H-indeno[1,2-d]oxazole]
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260407 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS182122-10-7
- Purity/Analytical Methods: >99.0%
182122-10-7 / (3aR,8bS)-2-[1-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclobutyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
Basic Information
CAS
182122-10-7
Multi CAS
No
Molecular Formula
C24H22N2O2
Molecular Weight
370.400000
Exact Mass
370.168128
SMILES
C1CC(C1)(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/C24H22N2O2/c1-3-8-16-14(6-1)12-18-20(16)25-22(27-18)24(10-5-11-24)23-26-21-17-9-4-2-7-15(17)13-19(21)28-23/h1-4,6-9,18-21H,5,10-13H2/t18-,19-,20+,21+/m1/s1
InChIKey
DPPQMGTZLCMJSM-CGXNFDGLSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
106.67
TPSA
43.18
LogP / Solubility
WLOGP
4.35
MLOGP
3.85
XLogP3
4
Consensus LogP
4.07
Log S (ESOL)
-5.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.92
Class (SILICOS-IT)
Slightly soluble
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)
-1.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5
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