![CAS 1246765-28-5 (3-Oxo-3,4-dihydro-2H-benzo[b]-[1,4]oxazin-6-yl)boronic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1246765-28-5.gif)
CAS RN: 1246765-28-5
(3-Oxo-3,4-dihydro-2H-benzo[b]-[1,4]oxazin-6-yl)boronic acid
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.20260605 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-028780
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 | Beijing | Inquiry |
1246765-28-5 / (3-oxo-4H-1,4-benzoxazin-6-yl)boronic acid
Basic Information
CAS
1246765-28-5
Multi CAS
No
Molecular Formula
C8H8BNO4
Molecular Weight
192.970000
Exact Mass
193.054638
SMILES
B(C1=CC2=C(C=C1)OCC(=O)N2)(O)O
InChI
InChI=1S/C8H8BNO4/c11-8-4-14-7-2-1-5(9(12)13)3-6(7)10-8/h1-3,12-13H,4H2,(H,10,11)
InChIKey
UWJIVYCLHMPFPZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
50.39
TPSA
78.79
LogP / Solubility
WLOGP
-1.3
MLOGP
-1.15
XLogP3
-1.3
Consensus LogP
-1.25
Log S (ESOL)
-0.47
Class (ESOL)
Very soluble
Log S (Ali)
-0.2
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.05
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)
-4.82
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
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