CAS RN: 850568-17-1
4-(O-METHYLHYDROXYLAMINOCARBONYL)PHENYLBORONIC 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.20251113 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS850568-17-1
- Purity/Analytical Methods: >99.0%
850568-17-1 / [4-(methoxycarbamoyl)phenyl]boronic acid
Basic Information
CAS
850568-17-1
Multi CAS
Yes
Molecular Formula
BC8H10NO4
Molecular Weight
194.980000
Exact Mass
195.070288
InChI
InChI=1S/C8H10BNO4/c1-14-10-8(11)6-2-4-7(5-3-6)9(12)13/h2-5,12-13H,1H3,(H,10,11)
InChIKey
MZZWCLBDQROHHS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
50.74
TPSA
78.79
LogP / Solubility
WLOGP
-1.34
MLOGP
-1.18
XLogP3
-1.34
Consensus LogP
-1.29
Log S (ESOL)
-0.32
Class (ESOL)
Very soluble
Log S (Ali)
-0.19
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.17
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.86
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 850568-19-3 4-[(3-ETHOXY-3-OXOPROPYL)CARBAMOYL]BENZENEBORONIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/850568-19-3.gif)
