![CAS 1253912-47-8 Benzo[D]oxazol-6-ylboronicacid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1253912-47-8.gif)
CAS RN: 1253912-47-8
Benzo[D]oxazol-6-ylboronicacid
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.20260327 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-030106
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: 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 2
- 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.
1253912-47-8 / 1,3-benzoxazol-6-ylboronic acid
Basic Information
CAS
1253912-47-8
Multi CAS
No
Molecular Formula
C7H6BNO3
Molecular Weight
162.940000
Exact Mass
163.044073
SMILES
B(C1=CC2=C(C=C1)N=CO2)(O)O
InChI
InChI=1S/C7H6BNO3/c10-8(11)5-1-2-6-7(3-5)12-4-9-6/h1-4,10-11H
InChIKey
ZMNCHLJKWPCQFR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
43.83
TPSA
66.49
LogP / Solubility
WLOGP
-0.49
MLOGP
-0.44
XLogP3
-0.49
Consensus LogP
-0.47
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-0.54
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.43
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.06
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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![CAS 1253924-71-8 4-Oxo-2-[4-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-ene, 4-(4-Oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl)-alpha,alpha,alpha-trifluoroanisole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1253924-71-8.gif)
