CAS RN: 517870-18-7
Methyl 5-(3-Nitrophenyl)isoxazole-3-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250528 | 100mg / 250mg / 1g | Confirm by inquiry | Shandong | 5-7 business days | Inquiry |
- Product code: SSC-158740
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 0.1g, 0.25g
- Available purity: >97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
517870-18-7 / methyl 5-(3-nitrophenyl)-1,2-oxazole-3-carboxylate
Basic Information
CAS
517870-18-7
Multi CAS
No
Molecular Formula
C11H8N2O5
Molecular Weight
248.190000
Exact Mass
248.043321
InChI
InChI=1S/C11H8N2O5/c1-17-11(14)9-6-10(18-12-9)7-3-2-4-8(5-7)13(15)16/h2-6H,1H3
InChIKey
DOVZTWUWELAMQM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
59.93
TPSA
95.47
LogP / Solubility
WLOGP
2.04
MLOGP
1.8
XLogP3
2
Consensus LogP
1.95
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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