CAS RN: 956360-06-8
Methyl 5-(3-Cyanophenyl)isoxazole-3-carboxylate
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.20250310 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-211153
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, 0.25g, 0.1g
- Available purity: ≥95%
- Inventory rows with stock: 6
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | -- | 5 In Stock | Shenzhen | Inquiry |
| 1g | ≥95% | 5 In Stock | Shanghai | Inquiry |
| 5g | -- | 5 In Stock | Shenzhen | Inquiry |
| 5g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 0.25g | -- | 3 In Stock | Beijing | Inquiry |
| 0.25g | ≥95% | 3 In Stock | Beijing | Inquiry |
| 0.1g | -- | 0 Out of Stock | Beijing | Inquiry |
| 0.1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
956360-06-8 / methyl 5-(3-cyanophenyl)-1,2-oxazole-3-carboxylate
Basic Information
CAS
956360-06-8
Multi CAS
No
Molecular Formula
C12H8N2O3
Molecular Weight
228.200000
Exact Mass
228.053492
InChI
InChI=1S/C12H8N2O3/c1-16-12(15)10-6-11(17-14-10)9-4-2-3-8(5-9)7-13/h2-6H,1H3
InChIKey
AKKNAJJXVYKRHT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
57.99
TPSA
76.12
LogP / Solubility
WLOGP
2
MLOGP
1.76
XLogP3
1.9
Consensus LogP
1.89
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69
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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