![CAS 52727-44-3 2,3-DIHYDRO-5H-OXAZOLO[2,3-B]QUINAZOLIN-5-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/52727-44-3.gif)
CAS RN: 52727-44-3
2,3-DIHYDRO-5H-OXAZOLO[2,3-B]QUINAZOLIN-5-ONE
- Product code: SSC-159852
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 | Shanghai | Inquiry |
52727-44-3 / 2,3-dihydro-[1,3]oxazolo[2,3-b]quinazolin-5-one
Basic Information
CAS
52727-44-3
Multi CAS
Yes
Molecular Formula
C10H8N2O2
Molecular Weight
188.180000
Exact Mass
188.058578
InChI
InChI=1S/C10H8N2O2/c13-9-7-3-1-2-4-8(7)11-10-12(9)5-6-14-10/h1-4H,5-6H2
InChIKey
QBEBJBXQJGORQQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.2
H-bond acceptors
4
Molar refractivity
51.5
TPSA
44.12
LogP / Solubility
WLOGP
0.79
MLOGP
0.69
XLogP3
1.1
Consensus LogP
0.86
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 52730-40-2 (1R,2S,3S,4S,6R)-rel-5-Oxotricyclo[2.2.1.02,6]heptane-3-carboxylic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/52730-40-2.gif)
