![CAS 1509929-22-9 Pyridine, 2-[(4S)-4,5-dihydro-4-(phenylmethyl)-2-oxazolyl]-6-phenyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1509929-22-9.gif)
CAS RN: 1509929-22-9
Pyridine, 2-[(4S)-4,5-dihydro-4-(phenylmethyl)-2-oxazolyl]-6-phenyl-
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.20250322 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1509929-22-9
- Purity/Analytical Methods: >99.0%
1509929-22-9 / (4S)-4-benzyl-2-(6-phenyl-2-pyridinyl)-4,5-dihydro-1,3-oxazole
Basic Information
CAS
1509929-22-9
Multi CAS
No
Molecular Formula
C21H18N2O
Molecular Weight
314.400000
Exact Mass
314.141913
SMILES
C1[C@@H](N=C(O1)C2=CC=CC(=N2)C3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C21H18N2O/c1-3-8-16(9-4-1)14-18-15-24-21(22-18)20-13-7-12-19(23-20)17-10-5-2-6-11-17/h1-13,18H,14-15H2/t18-/m0/s1
InChIKey
GIBSLBRVBBSKFV-SFHVURJKSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
96.1
TPSA
34.48
LogP / Solubility
WLOGP
4.14
MLOGP
3.65
XLogP3
4.4
Consensus LogP
4.06
Log S (ESOL)
-4.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.62
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)
-1.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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