CAS RN: 220628-99-9
(S)-4-PHENYL-2-(QUINOLIN-8-YL)-4,5-DIHYDROOXAZOLE
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: SSC-106148
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
220628-99-9 / (4S)-4-phenyl-2-quinolin-8-yl-4,5-dihydro-1,3-oxazole
Basic Information
CAS
220628-99-9
Multi CAS
No
Molecular Formula
C18H14N2O
Molecular Weight
274.300000
Exact Mass
274.110613
SMILES
C1[C@@H](N=C(O1)C2=CC=CC3=C2N=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C18H14N2O/c1-2-6-13(7-3-1)16-12-21-18(20-16)15-10-4-8-14-9-5-11-19-17(14)15/h1-11,16H,12H2/t16-/m1/s1
InChIKey
GKAXTVNUHSGHTR-MRXNPFEDSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
16
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
83.42
TPSA
34.48
LogP / Solubility
WLOGP
3.75
MLOGP
3.31
XLogP3
3.4
Consensus LogP
3.49
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.8
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.73
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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