CAS RN: 57598-40-0
2-BIPHENYL-2-YL-4,4-DIMETHYL-4,5-DIHYDRO-OXAZOLE
- Product code: SSC-165765
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 | Shenzhen | Inquiry |
57598-40-0 / 4,4-dimethyl-2-(2-phenylphenyl)-5H-1,3-oxazole
Basic Information
CAS
57598-40-0
Multi CAS
No
Molecular Formula
C17H17NO
Molecular Weight
251.320000
Exact Mass
251.131014
InChI
InChI=1S/C17H17NO/c1-17(2)12-19-16(18-17)15-11-7-6-10-14(15)13-8-4-3-5-9-13/h3-11H,12H2,1-2H3
InChIKey
MUFNIUXQTXCXFN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
78.45
TPSA
21.59
LogP / Solubility
WLOGP
3.91
MLOGP
3.45
XLogP3
3.7
Consensus LogP
3.69
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.78
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)
-1.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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