CAS RN: 16114-47-9
3,5-Dimethylisoxazole-4-boronic acid
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251104 | 100g | In stock | Shanghai | Inquiry | |
| Batchno.20250825 | 10g | In stock | Shanghai | Inquiry | |
| Batchno.20260211 | 10g / 25g / 100g / 250g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
| Batchno.20250505 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20251118 | 250mg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20250422 | 25g | In stock | Shanghai | Inquiry | |
| Batchno.20250414 | 500g | In stock | Tianjin | Inquiry | |
| Batchno.20250402 | 5g | In stock | Shanghai, Tianjin | Inquiry |
- Product code: SSC-068864
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, 5g, 10g, 25g
- Available purity: ≥97%
- 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.
16114-47-9 / (3,5-dimethyl-1,2-oxazol-4-yl)boronic acid
Basic Information
CAS
16114-47-9
Multi CAS
No
Molecular Formula
C5H8BNO3
Molecular Weight
140.940000
Exact Mass
141.059723
SMILES
B(C1=C(ON=C1C)C)(O)O
InChI
InChI=1S/C5H8BNO3/c1-3-5(6(8)9)4(2)10-7-3/h8-9H,1-2H3
InChIKey
DIIFZCPZIRQDIJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
35.8
TPSA
66.49
LogP / Solubility
WLOGP
-1.03
MLOGP
-0.91
XLogP3
-1.03
Consensus LogP
-0.99
Log S (ESOL)
-0.37
Class (ESOL)
Very soluble
Log S (Ali)
0.03
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.16
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
