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: ≥99%
- 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 | ≥99% | 0 Out of Stock | Beijing | Inquiry |
838-41-5 / 2,4-diphenyl-1,3-oxazole
Basic Information
CAS
838-41-5
Multi CAS
Yes
Molecular Formula
C15H11NO
Molecular Weight
221.250000
Exact Mass
221.084064
InChI
InChI=1S/C15H11NO/c1-3-7-12(8-4-1)14-11-17-15(16-14)13-9-5-2-6-10-13/h1-11H
InChIKey
VUPXKQHLZATXTR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
17
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
67.38
TPSA
26.03
LogP / Solubility
WLOGP
4.01
MLOGP
3.53
XLogP3
3.7
Consensus LogP
3.75
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.67
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
![CAS 85-15-4 2-Methylnaphth[1,2-d]oxazole molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/m1290-jpgcontextbwfzdgvyfhjvb3r8mzczmtn8aw1hz2uvanblz3xomgmvagvklzg5mze0mjc4mtezntgvtteyotauanbnfduymzy0mwnhy2m2odaxmte3odgzogqzzjy0nthlmtbhmjq3odm3njljy2zkzgi0yzexymrky2jjmjlkyjawmjk.jpeg)
