![CAS 2634687-79-7 (3aS,8aR)-2-(6-Phenylpyridin-2-yl)-8,8a-dihydro-3aH-indeno[1,2-d]oxazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2634687-79-7.gif)
CAS RN: 2634687-79-7
(3aS,8aR)-2-(6-Phenylpyridin-2-yl)-8,8a-dihydro-3aH-indeno[1,2-d]oxazole
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.20250817 | 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2634687-79-7
- Purity/Analytical Methods: >99.0%
2634687-79-7 / (3aR,8bS)-2-(6-phenyl-2-pyridinyl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
Basic Information
CAS
2634687-79-7
Multi CAS
No
Molecular Formula
C21H16N2O
Molecular Weight
312.400000
Exact Mass
312.126263
SMILES
C1[C@@H]2[C@H](C3=CC=CC=C31)N=C(O2)C4=CC=CC(=N4)C5=CC=CC=C5
InChI
InChI=1S/C21H16N2O/c1-2-7-14(8-3-1)17-11-6-12-18(22-17)21-23-20-16-10-5-4-9-15(16)13-19(20)24-21/h1-12,19-20H,13H2/t19-,20+/m1/s1
InChIKey
KNCASMDNPRUSBI-UXHICEINSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
93.97
TPSA
34.48
LogP / Solubility
WLOGP
4.19
MLOGP
3.7
XLogP3
4.2
Consensus LogP
4.03
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
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
No
Log Kp (skin permeation)
-1.65
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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