![CAS 2411385-99-2 Pyridine, 2-[(4S,5R)-4,5-dihydro-4,5-diphenyl-2-oxazolyl]-6-methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2411385-99-2.gif)
CAS RN: 2411385-99-2
Pyridine, 2-[(4S,5R)-4,5-dihydro-4,5-diphenyl-2-oxazolyl]-6-methyl-
- Product code: SSC-117538
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
2411385-99-2 / (4S,5R)-2-(6-methyl-2-pyridinyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
Basic Information
CAS
2411385-99-2
Multi CAS
No
Molecular Formula
C21H18N2O
Molecular Weight
314.400000
Exact Mass
314.141913
SMILES
CC1=NC(=CC=C1)C2=N[C@H]([C@H](O2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H18N2O/c1-15-9-8-14-18(22-15)21-23-19(16-10-4-2-5-11-16)20(24-21)17-12-6-3-7-13-17/h2-14,19-20H,1H3/t19-,20+/m0/s1
InChIKey
BGTTVPHCAMIMIN-VQTJNVASSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
94.96
TPSA
34.48
LogP / Solubility
WLOGP
4.65
MLOGP
4.11
XLogP3
4.3
Consensus LogP
4.35
Log S (ESOL)
-5.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.49
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
No
Log Kp (skin permeation)
-1.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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