CAS RN: 204841-19-0
3-Acetylphenylboronic Acid (contains varying amounts of Anhydride)
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251011 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Guangdong | 5-7 business days | Inquiry |
- Product code: SSC-096384
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: 1g, 5g, 10g, 25g
- Available purity: >97%
- Inventory rows with stock: 1
- 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.
204841-19-0 / (3-acetylphenyl)boronic acid
Basic Information
CAS
204841-19-0
Multi CAS
No
Molecular Formula
C8H9BO3
Molecular Weight
163.970000
Exact Mass
164.064474
SMILES
B(C1=CC(=CC=C1)C(=O)C)(O)O
InChI
InChI=1S/C8H9BO3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5,11-12H,1H3
InChIKey
SJGGDZCTGBKBCK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
46.27
TPSA
57.53
LogP / Solubility
WLOGP
-0.43
MLOGP
-0.38
XLogP3
-0.43
Consensus LogP
-0.41
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-0.59
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.61
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)
-4.03
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 815581-79-4 2-[(2,2,6,6-Tetramethyl-1-piperidyl)methyl]phenylboronic Acid (contains varying amounts of Anhydride) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t2908-jpgcontextbwfzdgvyfhjvb3r8ndqyndh8aw1hz2uvanblz3xoytyvadyylzg5mzi2ndk5mjy2odyvvdi5mdguanbnfdy3zmq5ywm1m2ywmzzimzazntgxzta4yji0y2e3m2jhm2jkyzhhztayzji5nmniodnjnzq2njyyodk5ogu1y2i.jpeg)
