![CAS 182122-12-9 “(3aS,3’aS,8aR,8’aR)-2,2′-Cyclopentylidenebis[3a,8a-dihydro-8H-indeno[1,2-d]oxazole]” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/182122-12-9.gif)
CAS RN: 182122-12-9
“(3aS,3’aS,8aR,8’aR)-2,2′-Cyclopentylidenebis[3a,8a-dihydro-8H-indeno[1,2-d]oxazole]”
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260430 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS182122-12-9
- Purity/Analytical Methods: >99.0%
182122-12-9 / (3aR,8bS)-2-[1-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclopentyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
Basic Information
CAS
182122-12-9
Multi CAS
No
Molecular Formula
C25H24N2O2
Molecular Weight
384.500000
Exact Mass
384.183778
SMILES
C1CCC(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/C25H24N2O2/c1-3-9-17-15(7-1)13-19-21(17)26-23(28-19)25(11-5-6-12-25)24-27-22-18-10-4-2-8-16(18)14-20(22)29-24/h1-4,7-10,19-22H,5-6,11-14H2/t19-,20-,21+,22+/m1/s1
InChIKey
IUZHBHBWSAWDRX-CZYKHXBRSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
111.29
TPSA
43.18
LogP / Solubility
WLOGP
4.74
MLOGP
4.19
XLogP3
4.5
Consensus LogP
4.48
Log S (ESOL)
-5.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.33
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)
-1.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5
Customers Also Viewed
-
![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](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
“(3aS,3a’S,8aR,8a’R)-2,2′-Cyclohexylidenebis[8,8a-dihydro-3aH-indeno[1,2-d]oxazole],99%e.e.”
- CAS RN: 182122-13-0
- Product Code: starshine_CAS182122-13-0
- Purity/Analytical method: >99.0%
-
2-MERCAPTO-6-METHYL-4-(TRIFLUOROMETHYL)NICOTINONITRILE
- CAS RN: 182127-92-0
- Product Code: SSC-083007
-
-
-
Quinovic acid 3-O-(3′,4′-O-isopropylidene)-beta-D-fucopyranoside
- CAS RN: 182132-59-8
- Product Code: starshine_CAS182132-59-8
- Purity/Analytical method: >99.0%
-
![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 182133-35-3 6-METHOXYBENZO[B]THIOPHENE-2-BORONIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/182133-35-3.gif)