![CAS 2757082-44-1 8H-Indeno[1,2-d]oxazole, 2-[2,2′-bipyridin]-6-yl-3a,8a-dihydro-, (3aS,8aR)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2757082-44-1.gif)
CAS RN: 2757082-44-1
8H-Indeno[1,2-d]oxazole, 2-[2,2′-bipyridin]-6-yl-3a,8a-dihydro-, (3aS,8aR)-
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250307 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250123 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260303 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260617 | 50mg | In stock | Shenzhen, Tianjin | Inquiry |
| Batchno.20251105 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS2757082-44-1
- Purity/Analytical Methods: >99.0%
2757082-44-1 / (3aR,8bS)-2-(6-pyridin-2-yl-2-pyridinyl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
Basic Information
CAS
2757082-44-1
Multi CAS
No
Molecular Formula
C20H15N3O
Molecular Weight
313.400000
Exact Mass
313.121512
SMILES
C1[C@@H]2[C@H](C3=CC=CC=C31)N=C(O2)C4=CC=CC(=N4)C5=CC=CC=N5
InChI
InChI=1S/C20H15N3O/c1-2-7-14-13(6-1)12-18-19(14)23-20(24-18)17-10-5-9-16(22-17)15-8-3-4-11-21-15/h1-11,18-19H,12H2/t18-,19+/m1/s1
InChIKey
VJSIMJSVSGCYRU-MOPGFXCFSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
18
Fraction Csp3
0.15
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
91.77
TPSA
47.37
LogP / Solubility
WLOGP
3.59
MLOGP
3.17
XLogP3
3.1
Consensus LogP
3.29
Log S (ESOL)
-4.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.91
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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![CAS 2757082-46-3 2,2′-Bipyridine, 6-[(4R)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2757082-46-3.gif)
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