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 |
852181-07-8 / ethyl 2-morpholin-4-yl-1,3-oxazole-4-carboxylate
Basic Information
CAS
852181-07-8
Multi CAS
No
Molecular Formula
C10H14N2O4
Molecular Weight
226.230000
Exact Mass
226.095357
InChI
InChI=1S/C10H14N2O4/c1-2-15-9(13)8-7-16-10(11-8)12-3-5-14-6-4-12/h7H,2-6H2,1H3
InChIKey
GQKNRLWNPUZFFG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
55.49
TPSA
64.8
LogP / Solubility
WLOGP
0.69
MLOGP
0.61
XLogP3
1
Consensus LogP
0.77
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.06
Class (SILICOS-IT)
Moderately 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)
-3.61
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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