CAS RN: 723281-57-0
3-(N,O-DIMETHYLHYDROXYLAMINOCARBONYL)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.20251117 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS723281-57-0
- Purity/Analytical Methods: >99.0%
723281-57-0 / [3-[methoxy(methyl)carbamoyl]phenyl]boronic acid
Basic Information
CAS
723281-57-0
Multi CAS
Yes
Molecular Formula
BC9H12NO4
Molecular Weight
209.010000
Exact Mass
209.085938
InChI
InChI=1S/C9H12BNO4/c1-11(15-2)9(12)7-4-3-5-8(6-7)10(13)14/h3-6,13-14H,1-2H3
InChIKey
IYZAWDLXZOCCSB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
55.37
TPSA
70
LogP / Solubility
WLOGP
-1
MLOGP
-0.88
XLogP3
-1
Consensus LogP
-0.96
Log S (ESOL)
-0.6
Class (ESOL)
Very soluble
Log S (Ali)
-0.55
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.55
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)
-4.71
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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![CAS 723286-67-7 1,2,4-TRIAZOLO[4,3-A]PYRAZINE-3-CARBOXYLIC ACID, ETHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/723286-67-7.gif)