CAS RN: 99349-68-5
3-Acrylamidophenylboronic Acid (contains varying amounts of Anhydride)
- Product code: SSC-213107
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, 25g, 10g, 5g, 0.25g, 100g
- Available purity: >97%
- Inventory rows with stock: 5
- 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 |
|---|---|---|---|---|
| 1g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 25g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 10g | >97% | 4 In Stock | Shanghai | Inquiry |
| 5g | >97% | 3 In Stock | Beijing | Inquiry |
| 0.25g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 100g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
99349-68-5 / [3-(prop-2-enoylamino)phenyl]boronic acid
Basic Information
CAS
99349-68-5
Multi CAS
No
Molecular Formula
BC9H10NO3
Molecular Weight
190.990000
Exact Mass
191.075373
InChI
InChI=1S/C9H10BNO3/c1-2-9(12)11-8-5-3-4-7(6-8)10(13)14/h2-6,13-14H,1H2,(H,11,12)
InChIKey
ULVXDHIJOKEBMW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
55.09
TPSA
69.56
LogP / Solubility
WLOGP
-0.51
MLOGP
-0.45
XLogP3
-0.51
Consensus LogP
-0.49
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-0.76
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.84
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)
-4.25
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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