CAS RN: 23429-04-1
2-Oxazolecarboxylic acid, 5-ethoxy-4-methyl-, ethyl ester
- Product code: SSC-113208
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 | Shanghai | Inquiry |
23429-04-1 / ethyl 5-ethoxy-4-methyl-1,3-oxazole-2-carboxylate
Basic Information
CAS
23429-04-1
Multi CAS
No
Molecular Formula
C9H13NO4
Molecular Weight
199.200000
Exact Mass
199.084458
SMILES
CCOC1=C(N=C(O1)C(=O)OCC)C
InChI
InChI=1S/C9H13NO4/c1-4-12-8(11)7-10-6(3)9(14-7)13-5-2/h4-5H2,1-3H3
InChIKey
PQRKGFMROBZFIM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
48.37
TPSA
61.56
LogP / Solubility
WLOGP
1.56
MLOGP
1.37
XLogP3
2
Consensus LogP
1.64
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
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)
-2.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
