![CAS 1422344-17-9 5-Tert-Butyl 2-Ethyl 6,7-Dihydrooxazolo[5,4-C]Pyridine-2,5(4H)-Dicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1422344-17-9.gif)
CAS RN: 1422344-17-9
5-Tert-Butyl 2-Ethyl 6,7-Dihydrooxazolo[5,4-C]Pyridine-2,5(4H)-Dicarboxylate
- Product code: SSC-053006
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1422344-17-9 / 5-O-tert-butyl 2-O-ethyl 6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-2,5-dicarboxylate
Basic Information
CAS
1422344-17-9
Multi CAS
No
Molecular Formula
C14H20N2O5
Molecular Weight
296.320000
Exact Mass
296.137222
SMILES
CCOC(=O)C1=NC2=C(O1)CN(CC2)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H20N2O5/c1-5-19-12(17)11-15-9-6-7-16(8-10(9)20-11)13(18)21-14(2,3)4/h5-8H2,1-4H3
InChIKey
HXVHTNHXSBCTTB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
5
Fraction Csp3
0.64
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
72.81
TPSA
81.87
LogP / Solubility
WLOGP
2.14
MLOGP
1.9
XLogP3
1.7
Consensus LogP
1.91
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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