CAS RN: 612832-83-4
2-Benzyloxy-5-chlorophenylboronic Acid (contains varying amounts of Anhydride)
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.20260225 | 1g / 5g / 10g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-170079
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: 5g
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
612832-83-4 / (5-chloro-2-phenylmethoxyphenyl)boronic acid
Basic Information
CAS
612832-83-4
Multi CAS
No
Molecular Formula
C13H12BCLO3
Molecular Weight
262.500000
Exact Mass
262.056802
InChI
InChI=1S/C13H12BClO3/c15-11-6-7-13(12(8-11)14(16)17)18-9-10-4-2-1-3-5-10/h1-8,16-17H,9H2
InChIKey
SLERXVFZNNSBIX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
72.05
TPSA
49.69
LogP / Solubility
WLOGP
1.6
MLOGP
1.41
XLogP3
1.6
Consensus LogP
1.54
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.17
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)
-3.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 932378-94-4 [3,5-Bis(ethoxycarbonyl)phenyl]boronic Acid (contains varying amounts of Anhydride) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b6032-jpgcontextbwfzdgvyfhjvb3r8mjg3ntl8aw1hz2uvanblz3xoyjavagi3lzg5mjkymjc4otg5mtavqjywmziuanbnfdnknwflmzi1owyxymq5yjflzwe3ytllnzhlnji5n2iwywzjntuwzwizzdczode1nwe4ntbiyzzizdewnze3ndm.jpeg)
