![CAS 1463052-85-8 5-Isoxazolecarboxylic acid, 3-[(4-methoxyphenyl)methoxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1463052-85-8.gif)
CAS RN: 1463052-85-8
5-Isoxazolecarboxylic acid, 3-[(4-methoxyphenyl)methoxy]-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260523 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-057382
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 | Shenzhen | Inquiry |
1463052-85-8 / 3-[(4-methoxyphenyl)methoxy]-1,2-oxazole-5-carboxylic acid
Basic Information
CAS
1463052-85-8
Multi CAS
No
Molecular Formula
C12H11NO5
Molecular Weight
249.220000
Exact Mass
249.063722
SMILES
COC1=CC=C(C=C1)COC2=NOC(=C2)C(=O)O
InChI
InChI=1S/C12H11NO5/c1-16-9-4-2-8(3-5-9)7-17-11-6-10(12(14)15)18-13-11/h2-6H,7H2,1H3,(H,14,15)
InChIKey
UIMYDHSKYAJZRW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
60.79
TPSA
81.79
LogP / Solubility
WLOGP
1.96
MLOGP
1.73
XLogP3
2
Consensus LogP
1.9
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.85
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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