CAS RN: 832697-40-2
1-N-BOC-PYRROLE-3-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.20251105 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-191146
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: 0.25g, 1g, 0.1g
- Available purity: ≥95%
- Inventory rows with stock: 4
- 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 |
|---|---|---|---|---|
| 0.25g | -- | 2 In Stock | Shanghai | Inquiry |
| 0.25g | ≥95% | 2 In Stock | Beijing | Inquiry |
| 1g | -- | 1 In Stock | Beijing | Inquiry |
| 1g | ≥95% | 1 In Stock | Shanghai | Inquiry |
| 0.1g | -- | 0 Out of Stock | Beijing | Inquiry |
| 0.1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
832697-40-2 / [1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-3-yl]boronic acid
Basic Information
CAS
832697-40-2
Multi CAS
No
Molecular Formula
BC9H14NO4
Molecular Weight
211.030000
Exact Mass
211.101588
InChI
InChI=1S/C9H14BNO4/c1-9(2,3)15-8(12)11-5-4-7(6-11)10(13)14/h4-6,13-14H,1-3H3
InChIKey
JTFQDOHHXGSMFC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
55.89
TPSA
71.69
LogP / Solubility
WLOGP
-0.05
MLOGP
-0.04
XLogP3
-0.05
Consensus LogP
-0.05
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.11
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-4.04
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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